(4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine

C12H18N2 — CID 142277385

IUPAC(4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine
SMILESCN1C=C/C(=C\CN2CC=CC2)CC1
InChIInChI=1S/C12H18N2/c1-13-9-4-12(5-10-13)6-11-14-7-2-3-8-14/h2-4,6,9H,5,7-8,10-11H2,1H3/b12-6+
InChIKeyJDIWOPVIFIBCRD-WUXMJOGZSA-N
MW190.29 g/mol
LogP1.63
Rot. Bonds2

About (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine

(4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine (PubChem CID 142277385) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine
PubChem CID142277385
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine
SMILESCN1C=C/C(=C\CN2CC=CC2)CC1
InChIInChI=1S/C12H18N2/c1-13-9-4-12(5-10-13)6-11-14-7-2-3-8-14/h2-4,6,9H,5,7-8,10-11H2,1H3/b12-6+
InChIKeyJDIWOPVIFIBCRD-WUXMJOGZSA-N
XLogP1.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
3-Ethyl-1-methyl-1,2-dihydropyridine
CID 12506166
1,1'-Dimethyl-1,1',2,2'-tetrahydro-4,4'-bipyridine
CID 20406507
N-butyl-4-methylpyridine
CID 20650803
3,5-dimethyl-N-butylpyridine
CID 141135275
(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine
CID 13204017
1-Methyl-phenyl-tetrahydropyridin
CID 129628619
Bis(diethylamino)fulvene
CID 129655938
1-Methyl-4-cyclopentadienyl-1,2-dihydropyridine
CID 129718904
N-butyl-2-methyl-5-vinylpyridine
CID 129760240
1,2-Dipropylpyridin
CID 129888299
(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate
CID 134965715

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine?
The IUPAC name of (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine (CID 142277385) is (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine.
What is the SMILES notation for (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine?
The canonical SMILES for (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine is CN1C=C/C(=C\CN2CC=CC2)CC1.
What is the InChIKey of (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine?
The InChIKey is JDIWOPVIFIBCRD-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-9-4-12(5-10-13)6-11-14-7-2-3-8-14/h2-4,6,9H,5,7-8,10-11H2,1H3/b12-6+.
What are the key properties of (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine?
(4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine has a molecular weight of 190.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine is sourced from PubChem (CID 142277385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).