(2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide

C10H12N2O — CID 177169771

IUPAC(2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide
SMILESCC1=C/C(=C(/C#N)C(N)=O)CCC1
InChIInChI=1S/C10H12N2O/c1-7-3-2-4-8(5-7)9(6-11)10(12)13/h5H,2-4H2,1H3,(H2,12,13)/b9-8-
InChIKeyZPNXXOAMGKYPPK-HJWRWDBZSA-N
MW176.22 g/mol
LogP1.42
Rot. Bonds1

About (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide

(2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide (PubChem CID 177169771) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide
PubChem CID177169771
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide
SMILESCC1=C/C(=C(/C#N)C(N)=O)CCC1
InChIInChI=1S/C10H12N2O/c1-7-3-2-4-8(5-7)9(6-11)10(12)13/h5H,2-4H2,1H3,(H2,12,13)/b9-8-
InChIKeyZPNXXOAMGKYPPK-HJWRWDBZSA-N
XLogP1.42
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide?
The IUPAC name of (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide (CID 177169771) is (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide is CC1=C/C(=C(/C#N)C(N)=O)CCC1.
What is the InChIKey of (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide?
The InChIKey is ZPNXXOAMGKYPPK-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-3-2-4-8(5-7)9(6-11)10(12)13/h5H,2-4H2,1H3,(H2,12,13)/b9-8-.
What are the key properties of (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide?
(2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide has a molecular weight of 176.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-(3-methylcyclohex-2-en-1-ylidene)acetamide is sourced from PubChem (CID 177169771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).