(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine

C15H23NO — CID 143024917

IUPAC(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine
SMILESC=C/C=C(\C=C1\C(C)=CC(C)(C)NC1C)OC
InChIInChI=1S/C15H23NO/c1-7-8-13(17-6)9-14-11(2)10-15(4,5)16-12(14)3/h7-10,12,16H,1H2,2-6H3/b13-8+,14-9-
InChIKeyJXANXJSHDQMDSQ-MGDWIPCISA-N
MW233.35 g/mol
LogP3.35
Rot. Bonds3

About (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine

(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine (PubChem CID 143024917) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine.

Molecular Properties

Compound Name(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine
PubChem CID143024917
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine
SMILESC=C/C=C(\C=C1\C(C)=CC(C)(C)NC1C)OC
InChIInChI=1S/C15H23NO/c1-7-8-13(17-6)9-14-11(2)10-15(4,5)16-12(14)3/h7-10,12,16H,1H2,2-6H3/b13-8+,14-9-
InChIKeyJXANXJSHDQMDSQ-MGDWIPCISA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-(6-Fluoro-2-methoxycyclohepta-1,3,6-trien-1-yl)pyrrolidine
CID 134386201
N-[(1R)-1-(4-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-2-methylpropan-1-amine
CID 169112958
5-methoxy-2-propyl-3a,7a-dihydro-1H-indole
CID 20708620
N-[(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 67926730
4-Methoxy-2-methylcyclohexa-2,4-dien-1-amine
CID 70224953
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562
N-(cyclopropylmethyl)-1-[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]prop-2-en-1-amine
CID 89290284
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89688710
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
4-methoxy-N-methylcyclohexa-2,4-dien-1-amine
CID 90855668

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine?
The IUPAC name of (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine (CID 143024917) is (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine.
What is the SMILES notation for (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine?
The canonical SMILES for (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine is C=C/C=C(\C=C1\C(C)=CC(C)(C)NC1C)OC.
What is the InChIKey of (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine?
The InChIKey is JXANXJSHDQMDSQ-MGDWIPCISA-N. The full InChI is InChI=1S/C15H23NO/c1-7-8-13(17-6)9-14-11(2)10-15(4,5)16-12(14)3/h7-10,12,16H,1H2,2-6H3/b13-8+,14-9-.
What are the key properties of (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine?
(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine has a molecular weight of 233.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine is sourced from PubChem (CID 143024917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).