1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one

C8H12N2O — CID 149352975

IUPAC1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one
SMILES[H]/N=C(\C(C)=O)C1=C(N)CCC1
InChIInChI=1S/C8H12N2O/c1-5(11)8(10)6-3-2-4-7(6)9/h10H,2-4,9H2,1H3/b10-8+
InChIKeyYGJSOAJWMZEKPM-CSKARUKUSA-N
MW152.20 g/mol
LogP0.99
Rot. Bonds2

About 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one

1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one (PubChem CID 149352975) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one.

Molecular Properties

Compound Name1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one
PubChem CID149352975
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one
SMILES[H]/N=C(\C(C)=O)C1=C(N)CCC1
InChIInChI=1S/C8H12N2O/c1-5(11)8(10)6-3-2-4-7(6)9/h10H,2-4,9H2,1H3/b10-8+
InChIKeyYGJSOAJWMZEKPM-CSKARUKUSA-N
XLogP0.99
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-(2-aminocyclohexen-1-yl)-2-iminoethanol;ethane
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3-amino-2-(2-methylpropanimidoyl)cyclohex-2-en-1-one
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(2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone
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1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one
CID 145225076
2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid
CID 144793419
N-(2-aminocyclopentene-1-carbonyl)benzamide
CID 10014076
ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine
CID 145188167
cyclopentane;ethanimidamide
CID 158057030
acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide
CID 162242443
3-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-4-hydroxypent-3-en-2-one
CID 135462570

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one?
The IUPAC name of 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one (CID 149352975) is 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one.
What is the SMILES notation for 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one?
The canonical SMILES for 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one is [H]/N=C(\C(C)=O)C1=C(N)CCC1.
What is the InChIKey of 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one?
The InChIKey is YGJSOAJWMZEKPM-CSKARUKUSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(11)8(10)6-3-2-4-7(6)9/h10H,2-4,9H2,1H3/b10-8+.
What are the key properties of 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one?
1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopenten-1-yl)-1-iminopropan-2-one is sourced from PubChem (CID 149352975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).