(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

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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).