2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one

C13H19NO — CID 585510

IUPAC2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESC=CCC1CC(N2CCCC2)=C(C)C1=O
InChIInChI=1S/C13H19NO/c1-3-6-11-9-12(10(2)13(11)15)14-7-4-5-8-14/h3,11H,1,4-9H2,2H3
InChIKeyGZNDCCJSTPXQJG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds3

About 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one

2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one (PubChem CID 585510) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
PubChem CID585510
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESC=CCC1CC(N2CCCC2)=C(C)C1=O
InChIInChI=1S/C13H19NO/c1-3-6-11-9-12(10(2)13(11)15)14-7-4-5-8-14/h3,11H,1,4-9H2,2H3
InChIKeyGZNDCCJSTPXQJG-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3-(pyrrolidin-1-yl)cyclopent-2-en-1-one
CID 13119714
3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 18185999
(6aR)-4-methyl-2-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 10583451
2-Ethyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
CID 15105493
3,5-Dimethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one
CID 18185996
(6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 68559403
(E)-3-(dimethylamino)-1-(1-methylpyrrolidin-3-yl)but-2-en-1-one
CID 134177534
2-Methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 139832425
(E)-4-methyl-1-[(2R)-1-methylpyrrolidin-2-yl]hept-1-en-3-one
CID 146303116
Cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
CID 161353834
4-Methyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 12280445
6-Methyl-3-(1-pyrrolidinyl)-2-cyclohexen-1-one
CID 12280446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one (CID 585510) is 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one is C=CCC1CC(N2CCCC2)=C(C)C1=O.
What is the InChIKey of 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
The InChIKey is GZNDCCJSTPXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-6-11-9-12(10(2)13(11)15)14-7-4-5-8-14/h3,11H,1,4-9H2,2H3.
What are the key properties of 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-enyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 585510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).