(E)-N-methyl-4-oxo-N-propylhept-5-enamide

C11H19NO2 — CID 88902556

IUPAC(E)-N-methyl-4-oxo-N-propylhept-5-enamide
SMILESC/C=C/C(=O)CCC(=O)N(C)CCC
InChIInChI=1S/C11H19NO2/c1-4-6-10(13)7-8-11(14)12(3)9-5-2/h4,6H,5,7-9H2,1-3H3/b6-4+
InChIKeyTVELNTLDYLJCFQ-GQCTYLIASA-N
MW197.28 g/mol
LogP1.78
Rot. Bonds6

About (E)-N-methyl-4-oxo-N-propylhept-5-enamide

(E)-N-methyl-4-oxo-N-propylhept-5-enamide (PubChem CID 88902556) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-N-methyl-4-oxo-N-propylhept-5-enamide.

Molecular Properties

Compound Name(E)-N-methyl-4-oxo-N-propylhept-5-enamide
PubChem CID88902556
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-N-methyl-4-oxo-N-propylhept-5-enamide
SMILESC/C=C/C(=O)CCC(=O)N(C)CCC
InChIInChI=1S/C11H19NO2/c1-4-6-10(13)7-8-11(14)12(3)9-5-2/h4,6H,5,7-9H2,1-3H3/b6-4+
InChIKeyTVELNTLDYLJCFQ-GQCTYLIASA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-oxo-N-propylhept-5-enamide?
The IUPAC name of (E)-N-methyl-4-oxo-N-propylhept-5-enamide (CID 88902556) is (E)-N-methyl-4-oxo-N-propylhept-5-enamide.
What is the SMILES notation for (E)-N-methyl-4-oxo-N-propylhept-5-enamide?
The canonical SMILES for (E)-N-methyl-4-oxo-N-propylhept-5-enamide is C/C=C/C(=O)CCC(=O)N(C)CCC.
What is the InChIKey of (E)-N-methyl-4-oxo-N-propylhept-5-enamide?
The InChIKey is TVELNTLDYLJCFQ-GQCTYLIASA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-6-10(13)7-8-11(14)12(3)9-5-2/h4,6H,5,7-9H2,1-3H3/b6-4+.
What are the key properties of (E)-N-methyl-4-oxo-N-propylhept-5-enamide?
(E)-N-methyl-4-oxo-N-propylhept-5-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-oxo-N-propylhept-5-enamide is sourced from PubChem (CID 88902556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).