9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one

C16H20N2O2 — CID 162792616

IUPAC9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
SMILESO=C1OCC2CCN(CC3CC3)Cc3ccccc3N12
InChIInChI=1S/C16H20N2O2/c19-16-18-14(11-20-16)7-8-17(9-12-5-6-12)10-13-3-1-2-4-15(13)18/h1-4,12,14H,5-11H2
InChIKeyOLTCJZPAHRXNGH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.63
Rot. Bonds2

About 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one

9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one (PubChem CID 162792616) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
PubChem CID162792616
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
SMILESO=C1OCC2CCN(CC3CC3)Cc3ccccc3N12
InChIInChI=1S/C16H20N2O2/c19-16-18-14(11-20-16)7-8-17(9-12-5-6-12)10-13-3-1-2-4-15(13)18/h1-4,12,14H,5-11H2
InChIKeyOLTCJZPAHRXNGH-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-9-(cyclopropylmethyl)-13-methoxy-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529192
9-[(2-methoxyphenyl)methyl]-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
CID 162792707
(6S)-9-acetyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
CID 75529006
4-oxo-4-[(6S)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-9-yl]butanoic acid
CID 75529027
(6S)-9-(3-methylbutanoyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
CID 75529038
(6S)-N-benzyl-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-triene-9-carboxamide
CID 75529028
9-(2-phenylmethoxyacetyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
CID 162805953
3,3a,4,5-tetrahydro-[1,3]oxazolo[4,3-d][1,5]benzoxazepin-1-one
CID 141496364
(6S)-9-[2-(4-methoxyphenyl)acetyl]-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
CID 75529012
9-[(2-chlorophenyl)methyl]-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 162913479
13-methoxy-9-[(3-methoxyphenyl)methyl]-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 162793117
13-methoxy-9-[(2-methoxyphenyl)methyl]-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 163049253

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one?
The IUPAC name of 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one (CID 162792616) is 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one?
The canonical SMILES for 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one is O=C1OCC2CCN(CC3CC3)Cc3ccccc3N12.
What is the InChIKey of 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one?
The InChIKey is OLTCJZPAHRXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16-18-14(11-20-16)7-8-17(9-12-5-6-12)10-13-3-1-2-4-15(13)18/h1-4,12,14H,5-11H2.
What are the key properties of 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one?
9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one has a molecular weight of 272.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one is sourced from PubChem (CID 162792616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).