1-aminocyclopent-2-en-1-ol

C5H9NO — CID 23056881

IUPAC1-aminocyclopent-2-en-1-ol
SMILESNC1(O)C=CCC1
InChIInChI=1S/C5H9NO/c6-5(7)3-1-2-4-5/h1,3,7H,2,4,6H2
InChIKeyFPOMTZSIIHOCSP-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.02
Rot. Bonds

About 1-aminocyclopent-2-en-1-ol

1-aminocyclopent-2-en-1-ol (PubChem CID 23056881) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-aminocyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-aminocyclopent-2-en-1-ol
PubChem CID23056881
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-aminocyclopent-2-en-1-ol
SMILESNC1(O)C=CCC1
InChIInChI=1S/C5H9NO/c6-5(7)3-1-2-4-5/h1,3,7H,2,4,6H2
InChIKeyFPOMTZSIIHOCSP-UHFFFAOYSA-N
XLogP-0.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethyl)cyclopent-2-en-1-ol
CID 159089346
1-ethynylcyclopent-2-en-1-ol
CID 13184286
methyl 1-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 141277029
1-(1-acetylcyclopent-2-en-1-yl)ethanone
CID 45085922
6,6-dimethylcyclohex-2-en-1-ol
CID 550886
3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid
CID 66322335
(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
CID 14339064
1-methylcyclopent-2-ene-1-carboxylate
CID 23127641
1-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-ol
CID 162411359
1-cyclohexyl-2-methylcyclohex-3-en-1-ol
CID 25228119
1,2,2-trimethylcyclohex-3-ene-1-carboxylic acid
CID 90472881
2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol
CID 100939176

Frequently Asked Questions

What is the IUPAC name of 1-aminocyclopent-2-en-1-ol?
The IUPAC name of 1-aminocyclopent-2-en-1-ol (CID 23056881) is 1-aminocyclopent-2-en-1-ol.
What is the SMILES notation for 1-aminocyclopent-2-en-1-ol?
The canonical SMILES for 1-aminocyclopent-2-en-1-ol is NC1(O)C=CCC1.
What is the InChIKey of 1-aminocyclopent-2-en-1-ol?
The InChIKey is FPOMTZSIIHOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c6-5(7)3-1-2-4-5/h1,3,7H,2,4,6H2.
What are the key properties of 1-aminocyclopent-2-en-1-ol?
1-aminocyclopent-2-en-1-ol has a molecular weight of 99.13 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclopent-2-en-1-ol is sourced from PubChem (CID 23056881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).