2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine

C12H21N — CID 163542700

IUPAC2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine
SMILESCC(C)(C1C=CCC1)C1CCCN1
InChIInChI=1S/C12H21N/c1-12(2,10-6-3-4-7-10)11-8-5-9-13-11/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeyFCLRGOWWDDLDMT-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds2

About 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine

2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine (PubChem CID 163542700) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine
PubChem CID163542700
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine
SMILESCC(C)(C1C=CCC1)C1CCCN1
InChIInChI=1S/C12H21N/c1-12(2,10-6-3-4-7-10)11-8-5-9-13-11/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeyFCLRGOWWDDLDMT-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]pyrrolidine
CID 144984207
(2S,5R)-2-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-5-propan-2-ylpyrrolidine
CID 146633880
(2S,5S)-2-ethyl-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
CID 167026065
trans-2,5-Bis-(1,1-dimethylallyl)-pyrrolidine
CID 11127485
trans-2-(5'-Hexenyl)-5-pentyl pyrrolidine
CID 129776115
2-Methyldecahydrocyclododeca[b]pyrrole
CID 129801363
(3aR,5Z,8Z,9aS)-3a-methyl-1,2,3,4,7,9a-hexahydrocycloocta[c]pyrrole
CID 139250160
(3aS,4Z,6S,7Z,9aR)-6,9a-dimethyl-1,2,3,3a,6,9-hexahydrocycloocta[c]pyrrole
CID 139250161
(3aS,4Z,6S,7Z,9aR)-9a-methyl-6-propan-2-yl-1,2,3,3a,6,9-hexahydrocycloocta[c]pyrrole
CID 139250162

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine?
The IUPAC name of 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine (CID 163542700) is 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine?
The canonical SMILES for 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine is CC(C)(C1C=CCC1)C1CCCN1.
What is the InChIKey of 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine?
The InChIKey is FCLRGOWWDDLDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2,10-6-3-4-7-10)11-8-5-9-13-11/h3,6,10-11,13H,4-5,7-9H2,1-2H3.
What are the key properties of 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine?
2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopent-2-en-1-ylpropan-2-yl)pyrrolidine is sourced from PubChem (CID 163542700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).