N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide

C13H19N3O — CID 98135407

IUPACN-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide
SMILESCC(=O)NN1C[C@@]2(C)[C@@H]3CC[C@]2(C)[C@]1(C#N)C3
InChIInChI=1S/C13H19N3O/c1-9(17)15-16-8-11(2)10-4-5-12(11,3)13(16,6-10)7-14/h10H,4-6,8H2,1-3H3,(H,15,17)/t10-,11+,12+,13-/m1/s1
InChIKeyHCHRTCZRDAPBQV-MROQNXINSA-N
MW233.31 g/mol
LogP1.44
Rot. Bonds1

About N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide

N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide (PubChem CID 98135407) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide
PubChem CID98135407
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide
SMILESCC(=O)NN1C[C@@]2(C)[C@@H]3CC[C@]2(C)[C@]1(C#N)C3
InChIInChI=1S/C13H19N3O/c1-9(17)15-16-8-11(2)10-4-5-12(11,3)13(16,6-10)7-14/h10H,4-6,8H2,1-3H3,(H,15,17)/t10-,11+,12+,13-/m1/s1
InChIKeyHCHRTCZRDAPBQV-MROQNXINSA-N
XLogP1.44
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3R,6S,7S)-6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile
CID 98095669
(1S,3R,6S,7R)-6,7-dimethyl-4-nitro-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile
CID 19564442
(1S,3R,6R,7S)-6,7-dimethyl-4-(4-methylbenzoyl)-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile
CID 23308234
(1R,3R,6S,7R)-4-(2-fluorobenzoyl)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile
CID 942813
6,7-dimethyl-4-(3-phenylprop-2-enoyl)-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile
CID 4632079
(1S,3S,6R,7R)-4-acetyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylic acid
CID 129408696
(3S)-4-acetyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylic acid
CID 102533934
(1S,3R,6S,7S)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 98095665
(1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 936000
(3-carbamoyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl)-hydroxy-oxoazanium
CID 23962884
1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile
CID 126758785
methyl (1R,3R,6S,7S)-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylate
CID 98151666

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide?
The IUPAC name of N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide (CID 98135407) is N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide.
What is the SMILES notation for N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide?
The canonical SMILES for N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide is CC(=O)NN1C[C@@]2(C)[C@@H]3CC[C@]2(C)[C@]1(C#N)C3.
What is the InChIKey of N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide?
The InChIKey is HCHRTCZRDAPBQV-MROQNXINSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(17)15-16-8-11(2)10-4-5-12(11,3)13(16,6-10)7-14/h10H,4-6,8H2,1-3H3,(H,15,17)/t10-,11+,12+,13-/m1/s1.
What are the key properties of N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide?
N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide is sourced from PubChem (CID 98135407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).