7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol

C19H23NO5 — CID 66587836

IUPAC7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol
SMILESCCN(C)C1Cc2ccc(O)c3c2C2C(O3)C3(C=CC21O)OCCO3
InChIInChI=1S/C19H23NO5/c1-3-20(2)13-10-11-4-5-12(21)16-14(11)15-17(25-16)19(23-8-9-24-19)7-6-18(13,15)22/h4-7,13,15,17,21-22H,3,8-10H2,1-2H3
InChIKeyPXMUKGBMRZNFHK-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.16
Rot. Bonds2

About 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol

7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol (PubChem CID 66587836) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol.

Molecular Properties

Compound Name7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol
PubChem CID66587836
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol
SMILESCCN(C)C1Cc2ccc(O)c3c2C2C(O3)C3(C=CC21O)OCCO3
InChIInChI=1S/C19H23NO5/c1-3-20(2)13-10-11-4-5-12(21)16-14(11)15-17(25-16)19(23-8-9-24-19)7-6-18(13,15)22/h4-7,13,15,17,21-22H,3,8-10H2,1-2H3
InChIKeyPXMUKGBMRZNFHK-UHFFFAOYSA-N
XLogP1.16
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol with MolForge

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Related Compounds

2-[[(1S,5S,6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-yl]oxy]acetic acid
CID 70962577
(4R,4aR,12bS)-3-(cyclopropylmethyl)-5,7-bis(dimethylamino)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
CID 57056745
(6R)-6-[cyclopropylmethyl(ethyl)amino]-11-hydroxy-5-(2-methylpropoxy)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one
CID 71012336
(1R,5S,6R)-6-ethyl-5-hydroxy-11-(hydroxymethyl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-one
CID 71048430
(1R,2S,5R,6R,14S)-6-methyl-14-propyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-triene-2,5,11-triol
CID 90169343
7-ethyl-4a-methyl-2,3,4,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
CID 59167314
(1R)-14-[(Z)-but-1-enyl]-5,11-dihydroxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-one
CID 144941786
(2S)-2-acetyloxy-4-[(1S)-2-[[(1R,5S,6R,14S)-6-[ethyl(methyl)amino]-5,11-dihydroxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-2-yl]oxy]-2-oxo-1-phenylethoxy]-4-oxobutanoic acid
CID 129211500
(1S,2R,10S,11R,12S,13R)-2-[ethyl(methyl)amino]-13-(2-hydroxypentan-2-yl)-12-methoxy-10-methyl-17-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-7-ol
CID 118070185
(4R,4aS,7S,7aR,12bS)-3-propyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
CID 10314511
(1R,5S,6R,14S)-6-[ethyl(prop-2-enyl)amino]-5,11-dihydroxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one
CID 130206743
7-ethyl-4a-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-id-9-ol;yttrium
CID 59167313

Frequently Asked Questions

What is the IUPAC name of 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol?
The IUPAC name of 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol (CID 66587836) is 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol.
What is the SMILES notation for 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol?
The canonical SMILES for 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol is CCN(C)C1Cc2ccc(O)c3c2C2C(O3)C3(C=CC21O)OCCO3.
What is the InChIKey of 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol?
The InChIKey is PXMUKGBMRZNFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-3-20(2)13-10-11-4-5-12(21)16-14(11)15-17(25-16)19(23-8-9-24-19)7-6-18(13,15)22/h4-7,13,15,17,21-22H,3,8-10H2,1-2H3.
What are the key properties of 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol?
7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol has a molecular weight of 345.40 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[ethyl(methyl)amino]spiro[1,3-dioxolane-2,11'-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),9-tetraene]-2',8'-diol is sourced from PubChem (CID 66587836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).