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

C11H16N2O — CID 12073373

IUPACN-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)=C[C@H](C)C[C@@H]1C#N
InChIInChI=1S/C11H16N2O/c1-7-4-8(2)11(13-9(3)14)10(5-7)6-12/h4,7,10-11H,5H2,1-3H3,(H,13,14)/t7-,10+,11+/m0/s1
InChIKeyUVXDHHUKEZEUTQ-WHGOUJPWSA-N
MW192.26 g/mol
LogP1.62
Rot. Bonds1

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

N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide (PubChem CID 12073373) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide
PubChem CID12073373
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)=C[C@H](C)C[C@@H]1C#N
InChIInChI=1S/C11H16N2O/c1-7-4-8(2)11(13-9(3)14)10(5-7)6-12/h4,7,10-11H,5H2,1-3H3,(H,13,14)/t7-,10+,11+/m0/s1
InChIKeyUVXDHHUKEZEUTQ-WHGOUJPWSA-N
XLogP1.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide?
The IUPAC name of N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide (CID 12073373) is N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide?
The canonical SMILES for N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide is CC(=O)N[C@@H]1C(C)=C[C@H](C)C[C@@H]1C#N.
What is the InChIKey of N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide?
The InChIKey is UVXDHHUKEZEUTQ-WHGOUJPWSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-4-8(2)11(13-9(3)14)10(5-7)6-12/h4,7,10-11H,5H2,1-3H3,(H,13,14)/t7-,10+,11+/m0/s1.
What are the key properties of N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide?
N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide has a molecular weight of 192.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R,6S)-6-cyano-2,4-dimethylcyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 12073373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).