2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole

C10H13N — CID 162013340

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole
SMILESCn1cccc1[C@@H]1C=CCC1
InChIInChI=1S/C10H13N/c1-11-8-4-7-10(11)9-5-2-3-6-9/h2,4-5,7-9H,3,6H2,1H3/t9-/m1/s1
InChIKeyYTTSBTZQSSAUSL-SECBINFHSA-N
MW147.22 g/mol
LogP2.46
Rot. Bonds1

About 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole

2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole (PubChem CID 162013340) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole
PubChem CID162013340
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole
SMILESCn1cccc1[C@@H]1C=CCC1
InChIInChI=1S/C10H13N/c1-11-8-4-7-10(11)9-5-2-3-6-9/h2,4-5,7-9H,3,6H2,1H3/t9-/m1/s1
InChIKeyYTTSBTZQSSAUSL-SECBINFHSA-N
XLogP2.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole (CID 162013340) is 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole is Cn1cccc1[C@@H]1C=CCC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole?
The InChIKey is YTTSBTZQSSAUSL-SECBINFHSA-N. The full InChI is InChI=1S/C10H13N/c1-11-8-4-7-10(11)9-5-2-3-6-9/h2,4-5,7-9H,3,6H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole?
2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole has a molecular weight of 147.22 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole is sourced from PubChem (CID 162013340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).