2-methyl-3-(propylamino)cyclopent-2-en-1-one

C9H15NO — CID 579876

IUPAC2-methyl-3-(propylamino)cyclopent-2-en-1-one
SMILESCCCNC1=C(C)C(=O)CC1
InChIInChI=1S/C9H15NO/c1-3-6-10-8-4-5-9(11)7(8)2/h10H,3-6H2,1-2H3
InChIKeyZIUJVMIFLNQXTJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-3-(propylamino)cyclopent-2-en-1-one

2-methyl-3-(propylamino)cyclopent-2-en-1-one (PubChem CID 579876) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-3-(propylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-(propylamino)cyclopent-2-en-1-one
PubChem CID579876
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-3-(propylamino)cyclopent-2-en-1-one
SMILESCCCNC1=C(C)C(=O)CC1
InChIInChI=1S/C9H15NO/c1-3-6-10-8-4-5-9(11)7(8)2/h10H,3-6H2,1-2H3
InChIKeyZIUJVMIFLNQXTJ-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(propylamino)cyclopent-2-en-1-one?
The IUPAC name of 2-methyl-3-(propylamino)cyclopent-2-en-1-one (CID 579876) is 2-methyl-3-(propylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 2-methyl-3-(propylamino)cyclopent-2-en-1-one?
The canonical SMILES for 2-methyl-3-(propylamino)cyclopent-2-en-1-one is CCCNC1=C(C)C(=O)CC1.
What is the InChIKey of 2-methyl-3-(propylamino)cyclopent-2-en-1-one?
The InChIKey is ZIUJVMIFLNQXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-6-10-8-4-5-9(11)7(8)2/h10H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-(propylamino)cyclopent-2-en-1-one?
2-methyl-3-(propylamino)cyclopent-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(propylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 579876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).