3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one

C10H10N2O — CID 65174159

IUPAC3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one
SMILESNc1ncccc1C1=CC(=O)CC1
InChIInChI=1S/C10H10N2O/c11-10-9(2-1-5-12-10)7-3-4-8(13)6-7/h1-2,5-6H,3-4H2,(H2,11,12)
InChIKeySDNDIKCBTPNDKF-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.41
Rot. Bonds1

About 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one

3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one (PubChem CID 65174159) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one
PubChem CID65174159
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one
SMILESNc1ncccc1C1=CC(=O)CC1
InChIInChI=1S/C10H10N2O/c11-10-9(2-1-5-12-10)7-3-4-8(13)6-7/h1-2,5-6H,3-4H2,(H2,11,12)
InChIKeySDNDIKCBTPNDKF-UHFFFAOYSA-N
XLogP1.41
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 219990
5-Phenyl-2-pyridinamine
CID 105097
CV 6504
CID 93543
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CID 31559
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086
2-phenyl-N-(2-pyridinyl)butanamide
CID 2852795
2,3,5-trimethyl-6-[(E)-1-pyridin-3-ylhept-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 14277762
2,3,5-trimethyl-6-[(Z)-1-pyridin-3-ylhept-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 14277763
5,5-Dimethyl-2-{[(5-methyl-2-pyridinyl)amino]methylene}-1,3-cyclohexanedione
CID 135401655

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one (CID 65174159) is 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one is Nc1ncccc1C1=CC(=O)CC1.
What is the InChIKey of 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one?
The InChIKey is SDNDIKCBTPNDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-10-9(2-1-5-12-10)7-3-4-8(13)6-7/h1-2,5-6H,3-4H2,(H2,11,12).
What are the key properties of 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one?
3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one is sourced from PubChem (CID 65174159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).