(2-aminocyclopent-3-en-1-yl)methanol

C6H11NO — CID 85433880

IUPAC(2-aminocyclopent-3-en-1-yl)methanol
SMILESNC1C=CCC1CO
InChIInChI=1S/C6H11NO/c7-6-3-1-2-5(6)4-8/h1,3,5-6,8H,2,4,7H2
InChIKeyKCDXFKBKZKIUCT-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.12
Rot. Bonds1

About (2-aminocyclopent-3-en-1-yl)methanol

(2-aminocyclopent-3-en-1-yl)methanol (PubChem CID 85433880) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2-aminocyclopent-3-en-1-yl)methanol.

Molecular Properties

Compound Name(2-aminocyclopent-3-en-1-yl)methanol
PubChem CID85433880
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2-aminocyclopent-3-en-1-yl)methanol
SMILESNC1C=CCC1CO
InChIInChI=1S/C6H11NO/c7-6-3-1-2-5(6)4-8/h1,3,5-6,8H,2,4,7H2
InChIKeyKCDXFKBKZKIUCT-UHFFFAOYSA-N
XLogP-0.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-Aminocyclopent-2-en-1-yl]methanol
CID 9934457
((1R,4S)-4-aminocyclopent-2-en-1-yl)methanol hydrochloride
CID 12899914
(1S,4R)-4-amino-2-cyclopentene-1-methanol
CID 9793729
(4-Aminocyclopent-2-en-1-yl)methanol
CID 10313113
2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-
CID 53471860
[(1R,2S)-2-aminocyclopent-3-en-1-yl]methanol
CID 12081657
Rel-((1S,6S)-6-aminocyclohex-3-en-1-yl)methanol
CID 7157088
((1S,4S)-4-Aminocyclopent-2-en-1-yl)methanol
CID 9793730
((1R,4R)-4-Aminocyclopent-2-en-1-yl)methanol
CID 10197658
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]azanium;chloride
CID 10942611
((1R,4R)-4-Aminocyclopent-2-en-1-yl)methanol hydrochloride
CID 12899913
[(1S,6R)-6-aminocyclohex-3-en-1-yl]methanol
CID 13460063

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopent-3-en-1-yl)methanol?
The IUPAC name of (2-aminocyclopent-3-en-1-yl)methanol (CID 85433880) is (2-aminocyclopent-3-en-1-yl)methanol.
What is the SMILES notation for (2-aminocyclopent-3-en-1-yl)methanol?
The canonical SMILES for (2-aminocyclopent-3-en-1-yl)methanol is NC1C=CCC1CO.
What is the InChIKey of (2-aminocyclopent-3-en-1-yl)methanol?
The InChIKey is KCDXFKBKZKIUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c7-6-3-1-2-5(6)4-8/h1,3,5-6,8H,2,4,7H2.
What are the key properties of (2-aminocyclopent-3-en-1-yl)methanol?
(2-aminocyclopent-3-en-1-yl)methanol has a molecular weight of 113.16 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopent-3-en-1-yl)methanol is sourced from PubChem (CID 85433880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).