N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide

C12H19NO — CID 91218555

IUPACN-cyclopropyl-2,5-dimethylhepta-2,4-dienamide
SMILESCCC(C)=CC=C(C)C(=O)NC1CC1
InChIInChI=1S/C12H19NO/c1-4-9(2)5-6-10(3)12(14)13-11-7-8-11/h5-6,11H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyCOXMJBITNRDMRD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds4

About N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide

N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide (PubChem CID 91218555) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethylhepta-2,4-dienamide
PubChem CID91218555
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-cyclopropyl-2,5-dimethylhepta-2,4-dienamide
SMILESCCC(C)=CC=C(C)C(=O)NC1CC1
InChIInChI=1S/C12H19NO/c1-4-9(2)5-6-10(3)12(14)13-11-7-8-11/h5-6,11H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyCOXMJBITNRDMRD-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide?
The IUPAC name of N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide (CID 91218555) is N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide.
What is the SMILES notation for N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide?
The canonical SMILES for N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide is CCC(C)=CC=C(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide?
The InChIKey is COXMJBITNRDMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-9(2)5-6-10(3)12(14)13-11-7-8-11/h5-6,11H,4,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide?
N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide has a molecular weight of 193.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dimethylhepta-2,4-dienamide is sourced from PubChem (CID 91218555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).