2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one

C9H9NO — CID 91434455

IUPAC2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one
SMILESO=C1CCC=C1c1ccc[nH]1
InChIInChI=1S/C9H9NO/c11-9-5-1-3-7(9)8-4-2-6-10-8/h2-4,6,10H,1,5H2
InChIKeyJUNDCJBPSNKVIZ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.76
Rot. Bonds1

About 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one

2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one (PubChem CID 91434455) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one
PubChem CID91434455
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one
SMILESO=C1CCC=C1c1ccc[nH]1
InChIInChI=1S/C9H9NO/c11-9-5-1-3-7(9)8-4-2-6-10-8/h2-4,6,10H,1,5H2
InChIKeyJUNDCJBPSNKVIZ-UHFFFAOYSA-N
XLogP1.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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cyclopenten-1-yl(1H-pyrrol-2-yl)methanone
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2-(furan-3-yl)cyclopent-2-en-1-one
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CID 10956449
3-(1H-pyrrol-2-yl)cyclobut-3-ene-1,2-dione
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3-(1H-pyrrol-2-yl)-1,4-dihydropyrazol-5-one
CID 135966133
2-(cyclohepten-1-yl)cyclopent-2-en-1-one
CID 130164243
4-[bis(1H-pyrrol-2-yl)amino]cyclohexan-1-one
CID 138676487
methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole
CID 159141644
3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one
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3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one?
The IUPAC name of 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one (CID 91434455) is 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one is O=C1CCC=C1c1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one?
The InChIKey is JUNDCJBPSNKVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-5-1-3-7(9)8-4-2-6-10-8/h2-4,6,10H,1,5H2.
What are the key properties of 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one?
2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one has a molecular weight of 147.18 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 91434455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).