4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide

C12H17NO — CID 12977207

IUPAC4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide
SMILESCC(CCC(=O)N(C)C)=C1C=CC=C1
InChIInChI=1S/C12H17NO/c1-10(11-6-4-5-7-11)8-9-12(14)13(2)3/h4-7H,8-9H2,1-3H3
InChIKeyFTLYUWQPNYNKMF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds3

About 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide

4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide (PubChem CID 12977207) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide.

Molecular Properties

Compound Name4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide
PubChem CID12977207
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide
SMILESCC(CCC(=O)N(C)C)=C1C=CC=C1
InChIInChI=1S/C12H17NO/c1-10(11-6-4-5-7-11)8-9-12(14)13(2)3/h4-7H,8-9H2,1-3H3
InChIKeyFTLYUWQPNYNKMF-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide?
The IUPAC name of 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide (CID 12977207) is 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide.
What is the SMILES notation for 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide?
The canonical SMILES for 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide is CC(CCC(=O)N(C)C)=C1C=CC=C1.
What is the InChIKey of 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide?
The InChIKey is FTLYUWQPNYNKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(11-6-4-5-7-11)8-9-12(14)13(2)3/h4-7H,8-9H2,1-3H3.
What are the key properties of 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide?
4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide has a molecular weight of 191.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide is sourced from PubChem (CID 12977207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).