N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide

C10H17NO2 — CID 160561740

IUPACN-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)C=C(C)C[C@@H]1C
InChIInChI=1S/C10H17NO2/c1-6-4-7(2)10(9(13)5-6)11-8(3)12/h5,7,9-10,13H,4H2,1-3H3,(H,11,12)/t7-,9+,10+/m0/s1
InChIKeyCYRZNWOKEWFPSQ-FXBDTBDDSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds1

About N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide (PubChem CID 160561740) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide
PubChem CID160561740
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)C=C(C)C[C@@H]1C
InChIInChI=1S/C10H17NO2/c1-6-4-7(2)10(9(13)5-6)11-8(3)12/h5,7,9-10,13H,4H2,1-3H3,(H,11,12)/t7-,9+,10+/m0/s1
InChIKeyCYRZNWOKEWFPSQ-FXBDTBDDSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide (CID 160561740) is N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide is CC(=O)N[C@H]1[C@H](O)C=C(C)C[C@@H]1C.
What is the InChIKey of N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide?
The InChIKey is CYRZNWOKEWFPSQ-FXBDTBDDSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-4-7(2)10(9(13)5-6)11-8(3)12/h5,7,9-10,13H,4H2,1-3H3,(H,11,12)/t7-,9+,10+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 160561740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).