N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide

C11H15NO — CID 10773804

IUPACN-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)/N=C1\C=CC=CC1
InChIInChI=1S/C11H15NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-7H,8H2,1-3H3/b12-9+
InChIKeyCPEXWNHDCORTLV-FMIVXFBMSA-N
MW177.25 g/mol
LogP2.52
Rot. Bonds

About N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide

N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide (PubChem CID 10773804) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide
PubChem CID10773804
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)/N=C1\C=CC=CC1
InChIInChI=1S/C11H15NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-7H,8H2,1-3H3/b12-9+
InChIKeyCPEXWNHDCORTLV-FMIVXFBMSA-N
XLogP2.52
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide (CID 10773804) is N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide is CC(C)(C)C(=O)/N=C1\C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide?
The InChIKey is CPEXWNHDCORTLV-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-7H,8H2,1-3H3/b12-9+.
What are the key properties of N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide?
N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide has a molecular weight of 177.25 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide is sourced from PubChem (CID 10773804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).