5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole

C11H11N — CID 59839732

IUPAC5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole
SMILESCC1=C(C=C2C=CC=C2)N=CC1
InChIInChI=1S/C11H11N/c1-9-6-7-12-11(9)8-10-4-2-3-5-10/h2-5,7-8H,6H2,1H3
InChIKeyGKJYNNPDMIRCPQ-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.79
Rot. Bonds1

About 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole

5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole (PubChem CID 59839732) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole.

Molecular Properties

Compound Name5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole
PubChem CID59839732
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole
SMILESCC1=C(C=C2C=CC=C2)N=CC1
InChIInChI=1S/C11H11N/c1-9-6-7-12-11(9)8-10-4-2-3-5-10/h2-5,7-8H,6H2,1H3
InChIKeyGKJYNNPDMIRCPQ-UHFFFAOYSA-N
XLogP2.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentindole
CID 88133445
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
CID 163739316
N-[(3E,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-trien-3-yl]ethanimine
CID 163986819
(E)-N-[(2E)-3-fluoro-4-methylidenehepta-2,5,6-trien-2-yl]but-2-en-1-imine
CID 166976469
N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
CID 166976510
N-[(3E,5Z)-3-fluoro-7-methylidenenona-1,3,5,8-tetraen-2-yl]ethanimine
CID 169960632
6-Cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
CID 91482385
2-(4,5-Dimethylpyrrol-3-ylidene)indole
CID 123661071
N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
CID 142913217
N-[(3Z)-2-(fluoromethyl)hepta-1,3,6-trien-4-yl]ethanimine
CID 144356598
6-Methylcyclopenta[b]pyrrole
CID 21095215

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole?
The IUPAC name of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole (CID 59839732) is 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole.
What is the SMILES notation for 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole?
The canonical SMILES for 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole is CC1=C(C=C2C=CC=C2)N=CC1.
What is the InChIKey of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole?
The InChIKey is GKJYNNPDMIRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-6-7-12-11(9)8-10-4-2-3-5-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole?
5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole has a molecular weight of 157.22 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole is sourced from PubChem (CID 59839732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).