2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide

C9H10N2O — CID 5233023

IUPAC2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide
SMILESCC1=CC(=C(C#N)C(N)=O)CC1
InChIInChI=1S/C9H10N2O/c1-6-2-3-7(4-6)8(5-10)9(11)12/h4H,2-3H2,1H3,(H2,11,12)
InChIKeyORDNHJSFHNURMI-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.03
Rot. Bonds1

About 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide

2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide (PubChem CID 5233023) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide.

Molecular Properties

Compound Name2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide
PubChem CID5233023
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide
SMILESCC1=CC(=C(C#N)C(N)=O)CC1
InChIInChI=1S/C9H10N2O/c1-6-2-3-7(4-6)8(5-10)9(11)12/h4H,2-3H2,1H3,(H2,11,12)
InChIKeyORDNHJSFHNURMI-UHFFFAOYSA-N
XLogP1.03
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.03
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 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide?
The IUPAC name of 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide (CID 5233023) is 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide.
What is the SMILES notation for 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide?
The canonical SMILES for 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide is CC1=CC(=C(C#N)C(N)=O)CC1.
What is the InChIKey of 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide?
The InChIKey is ORDNHJSFHNURMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-2-3-7(4-6)8(5-10)9(11)12/h4H,2-3H2,1H3,(H2,11,12).
What are the key properties of 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide?
2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide has a molecular weight of 162.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide is sourced from PubChem (CID 5233023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).