N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide

C14H19N3O2 — CID 146646317

IUPACN-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(c(=O)c1)CC1CNC[C@@H]2C1
InChIInChI=1S/C14H19N3O2/c1-9(18)16-6-10-3-13-12-2-11(5-15-7-12)8-17(13)14(19)4-10/h3-4,11-12,15H,2,5-8H2,1H3,(H,16,18)/t11?,12-/m0/s1
InChIKeySGTIJQPRESNGSP-KIYNQFGBSA-N
MW261.32 g/mol
LogP0.19
Rot. Bonds2

About N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide

N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide (PubChem CID 146646317) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide
PubChem CID146646317
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(c(=O)c1)CC1CNC[C@@H]2C1
InChIInChI=1S/C14H19N3O2/c1-9(18)16-6-10-3-13-12-2-11(5-15-7-12)8-17(13)14(19)4-10/h3-4,11-12,15H,2,5-8H2,1H3,(H,16,18)/t11?,12-/m0/s1
InChIKeySGTIJQPRESNGSP-KIYNQFGBSA-N
XLogP0.19
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,9S)-4-(2,2,2-trifluoroethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 134264048
(1R,9S)-4-(aminomethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 134264046
(1R,9S)-4-(fluoromethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 134264022
(1S)-4-(2,2,2-trifluoroethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
CID 160683879
(1S)-4-bromo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 135017389
5-acetyl-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 68572453
(1R,9S)-4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 176500864
(1R,9S)-4-(1-methyl-6-oxopyridazin-3-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 175644698
(1R,9S)-3,5-ditritio-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 53321937
(1R,9S)-4-(2,6-difluoro-4-methoxyphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
CID 171710182
7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;phosphoric acid
CID 42641684
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide?
The IUPAC name of N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide (CID 146646317) is N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide is CC(=O)NCc1cc2n(c(=O)c1)CC1CNC[C@@H]2C1.
What is the InChIKey of N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide?
The InChIKey is SGTIJQPRESNGSP-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(18)16-6-10-3-13-12-2-11(5-15-7-12)8-17(13)14(19)4-10/h3-4,11-12,15H,2,5-8H2,1H3,(H,16,18)/t11?,12-/m0/s1.
What are the key properties of N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide?
N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-4-yl]methyl]acetamide is sourced from PubChem (CID 146646317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).