9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H24N2O3 — CID 97471398

IUPAC9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCN(Cc3ccc(C)o3)CC2)OCC1=O
InChIInChI=1S/C17H24N2O3/c1-3-8-19-13-17(21-12-16(19)20)6-9-18(10-7-17)11-15-5-4-14(2)22-15/h3-5H,1,6-13H2,2H3
InChIKeyKLZQQANRNQHZTF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.97
Rot. Bonds4

About 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471398) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471398
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCN(Cc3ccc(C)o3)CC2)OCC1=O
InChIInChI=1S/C17H24N2O3/c1-3-8-19-13-17(21-12-16(19)20)6-9-18(10-7-17)11-15-5-4-14(2)22-15/h3-5H,1,6-13H2,2H3
InChIKeyKLZQQANRNQHZTF-UHFFFAOYSA-N
XLogP1.97
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384670
9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471407
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384675
4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384689
(3R)-8-[(5-methylfuran-2-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371264
9-[(5-methylfuran-2-yl)methyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372242
(5R)-13-acetyl-3-ethyl-9-[(5-methylfuran-2-yl)methyl]-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360526
[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol
CID 104695286
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-prop-2-enylpiperazin-2-yl]acetic acid
CID 110284248
(2S)-N,N-dimethyl-8-[(5-methylfuran-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383763
9-[(5-methylfuran-2-yl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171696831

Frequently Asked Questions

What is the IUPAC name of 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471398) is 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCN(Cc3ccc(C)o3)CC2)OCC1=O.
What is the InChIKey of 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KLZQQANRNQHZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-8-19-13-17(21-12-16(19)20)6-9-18(10-7-17)11-15-5-4-14(2)22-15/h3-5H,1,6-13H2,2H3.
What are the key properties of 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 304.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).