(2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole

C15H19N — CID 54315627

IUPAC(2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole
SMILESCC1=C(/C=C/C/C=C2/CC=CN2C)CC=C1
InChIInChI=1S/C15H19N/c1-13-7-5-9-14(13)8-3-4-10-15-11-6-12-16(15)2/h3,5-8,10,12H,4,9,11H2,1-2H3/b8-3+,15-10-
InChIKeySNYJSNJBCIXLGY-YZMLXOKXSA-N
MW213.32 g/mol
LogP3.94
Rot. Bonds3

About (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole

(2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole (PubChem CID 54315627) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole.

Molecular Properties

Compound Name(2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole
PubChem CID54315627
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole
SMILESCC1=C(/C=C/C/C=C2/CC=CN2C)CC=C1
InChIInChI=1S/C15H19N/c1-13-7-5-9-14(13)8-3-4-10-15-11-6-12-16(15)2/h3,5-8,10,12H,4,9,11H2,1-2H3/b8-3+,15-10-
InChIKeySNYJSNJBCIXLGY-YZMLXOKXSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole with MolForge

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Related Compounds

Pentalene, 1,3-bis(dimethylamino)-
CID 139825
2-(Cyclopenta-2,4-dien-1-ylidene)-1-methyl-1,2-dihydropyridine
CID 13860310
(E)-6-[2-(dimethylamino)ethenyl]-fulvene
CID 13280603
Dimethylaminofulvene
CID 90007951
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(Z)-6-fluoro-N-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]hex-2-en-3-amine
CID 167172103
(2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole
CID 167270099
(1E,4Z)-7-fluoro-N,2,8-trimethyl-6-methylidene-N-[(Z)-prop-1-enyl]cycloocta-1,4,7-trien-1-amine
CID 173853315
1-(Cyclopenta-2,4-dien-1-ylidene)-N,N-diethylethan-1-amine
CID 45088785
Diisopropylaminofulvene
CID 129814678

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole?
The IUPAC name of (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole (CID 54315627) is (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole.
What is the SMILES notation for (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole?
The canonical SMILES for (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole is CC1=C(/C=C/C/C=C2/CC=CN2C)CC=C1.
What is the InChIKey of (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole?
The InChIKey is SNYJSNJBCIXLGY-YZMLXOKXSA-N. The full InChI is InChI=1S/C15H19N/c1-13-7-5-9-14(13)8-3-4-10-15-11-6-12-16(15)2/h3,5-8,10,12H,4,9,11H2,1-2H3/b8-3+,15-10-.
What are the key properties of (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole?
(2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole has a molecular weight of 213.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methyl-2-[(E)-4-(2-methylcyclopenta-1,3-dien-1-yl)but-3-enylidene]-3H-pyrrole is sourced from PubChem (CID 54315627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).