(E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide

C14H22N2O — CID 118686971

IUPAC(E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide
SMILESCCCC/C(C)=C/C(=O)NCC1=CC=CCN1
InChIInChI=1S/C14H22N2O/c1-3-4-7-12(2)10-14(17)16-11-13-8-5-6-9-15-13/h5-6,8,10,15H,3-4,7,9,11H2,1-2H3,(H,16,17)/b12-10+
InChIKeyWVMZRYCLPJCOSB-ZRDIBKRKSA-N
MW234.34 g/mol
LogP2.28
Rot. Bonds6

About (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide

(E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide (PubChem CID 118686971) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide
PubChem CID118686971
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide
SMILESCCCC/C(C)=C/C(=O)NCC1=CC=CCN1
InChIInChI=1S/C14H22N2O/c1-3-4-7-12(2)10-14(17)16-11-13-8-5-6-9-15-13/h5-6,8,10,15H,3-4,7,9,11H2,1-2H3,(H,16,17)/b12-10+
InChIKeyWVMZRYCLPJCOSB-ZRDIBKRKSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide?
The IUPAC name of (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide (CID 118686971) is (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide.
What is the SMILES notation for (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide?
The canonical SMILES for (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide is CCCC/C(C)=C/C(=O)NCC1=CC=CCN1.
What is the InChIKey of (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide?
The InChIKey is WVMZRYCLPJCOSB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-7-12(2)10-14(17)16-11-13-8-5-6-9-15-13/h5-6,8,10,15H,3-4,7,9,11H2,1-2H3,(H,16,17)/b12-10+.
What are the key properties of (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide?
(E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide has a molecular weight of 234.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide is sourced from PubChem (CID 118686971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).