2-amino-4-cyclopentylidene-3H-pyrrol-5-one

C9H12N2O — CID 130006911

IUPAC2-amino-4-cyclopentylidene-3H-pyrrol-5-one
SMILESNC1=NC(=O)C(=C2CCCC2)C1
InChIInChI=1S/C9H12N2O/c10-8-5-7(9(12)11-8)6-3-1-2-4-6/h1-5H2,(H2,10,11,12)
InChIKeyJCAZFTLUYQIQNQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.14
Rot. Bonds

About 2-amino-4-cyclopentylidene-3H-pyrrol-5-one

2-amino-4-cyclopentylidene-3H-pyrrol-5-one (PubChem CID 130006911) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-amino-4-cyclopentylidene-3H-pyrrol-5-one.

Molecular Properties

Compound Name2-amino-4-cyclopentylidene-3H-pyrrol-5-one
PubChem CID130006911
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-amino-4-cyclopentylidene-3H-pyrrol-5-one
SMILESNC1=NC(=O)C(=C2CCCC2)C1
InChIInChI=1S/C9H12N2O/c10-8-5-7(9(12)11-8)6-3-1-2-4-6/h1-5H2,(H2,10,11,12)
InChIKeyJCAZFTLUYQIQNQ-UHFFFAOYSA-N
XLogP1.14
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopentylidene-3H-pyrrol-5-one?
The IUPAC name of 2-amino-4-cyclopentylidene-3H-pyrrol-5-one (CID 130006911) is 2-amino-4-cyclopentylidene-3H-pyrrol-5-one.
What is the SMILES notation for 2-amino-4-cyclopentylidene-3H-pyrrol-5-one?
The canonical SMILES for 2-amino-4-cyclopentylidene-3H-pyrrol-5-one is NC1=NC(=O)C(=C2CCCC2)C1.
What is the InChIKey of 2-amino-4-cyclopentylidene-3H-pyrrol-5-one?
The InChIKey is JCAZFTLUYQIQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-5-7(9(12)11-8)6-3-1-2-4-6/h1-5H2,(H2,10,11,12).
What are the key properties of 2-amino-4-cyclopentylidene-3H-pyrrol-5-one?
2-amino-4-cyclopentylidene-3H-pyrrol-5-one has a molecular weight of 164.21 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopentylidene-3H-pyrrol-5-one is sourced from PubChem (CID 130006911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).