3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one

C12H19NO — CID 127002623

IUPAC3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one
SMILESCCC(NC1=CC(=O)CC1)C1CCC1
InChIInChI=1S/C12H19NO/c1-2-12(9-4-3-5-9)13-10-6-7-11(14)8-10/h8-9,12-13H,2-7H2,1H3
InChIKeyXGKNHSCYPKCSOW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.40
Rot. Bonds4

About 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one

3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one (PubChem CID 127002623) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one
PubChem CID127002623
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one
SMILESCCC(NC1=CC(=O)CC1)C1CCC1
InChIInChI=1S/C12H19NO/c1-2-12(9-4-3-5-9)13-10-6-7-11(14)8-10/h8-9,12-13H,2-7H2,1H3
InChIKeyXGKNHSCYPKCSOW-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one (CID 127002623) is 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one is CCC(NC1=CC(=O)CC1)C1CCC1.
What is the InChIKey of 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one?
The InChIKey is XGKNHSCYPKCSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-12(9-4-3-5-9)13-10-6-7-11(14)8-10/h8-9,12-13H,2-7H2,1H3.
What are the key properties of 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one?
3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutylpropylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 127002623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).