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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Related Compounds

N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide
CID 142910900
2-(cyclopenten-1-yl)-N,N-dimethylacetamide
CID 102287724
4-cyclopenta-1,4-dien-1-yl-N,N,4-trimethylpentanamide
CID 12977226
(4E)-N,N,6-trimethylhepta-4,6-dienamide
CID 13483524
(4E)-N,N,4-trimethylhepta-4,6-dienamide
CID 13483540
(E)-N,N-dimethyl-2-propylhex-2-enamide
CID 102590294
4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide
CID 134993704
(Z)-3-(cyclohexylidenemethyl)-N,N-dimethylnon-3-enamide
CID 135033978
3-cyclohexa-1,4-dien-1-yl-N,N-dimethylpropanamide
CID 155934189
N,N-dimethylcyclopenta-1,3-diene-1-carboxamide
CID 13280624
N,N-diethyl-6-methylhept-5-enamide
CID 18738846
N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 54461718

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).