3-(hydroxymethyl)-4-iminocyclopentan-1-ol

C6H11NO2 — CID 146178043

IUPAC3-(hydroxymethyl)-4-iminocyclopentan-1-ol
SMILES[H]/N=C1\CC(O)CC1CO
InChIInChI=1S/C6H11NO2/c7-6-2-5(9)1-4(6)3-8/h4-5,7-9H,1-3H2/b7-6+
InChIKeyBWUVDXHMIQQLAI-VOTSOKGWSA-N
MW129.16 g/mol
LogP-0.23
Rot. Bonds1

About 3-(hydroxymethyl)-4-iminocyclopentan-1-ol

3-(hydroxymethyl)-4-iminocyclopentan-1-ol (PubChem CID 146178043) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-iminocyclopentan-1-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-iminocyclopentan-1-ol
PubChem CID146178043
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-(hydroxymethyl)-4-iminocyclopentan-1-ol
SMILES[H]/N=C1\CC(O)CC1CO
InChIInChI=1S/C6H11NO2/c7-6-2-5(9)1-4(6)3-8/h4-5,7-9H,1-3H2/b7-6+
InChIKeyBWUVDXHMIQQLAI-VOTSOKGWSA-N
XLogP-0.23
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3-Iminocyclopentyl)methanol
CID 53681316
3-Imino-2-methylcyclopentan-1-ol
CID 123864091
(2-Imino-4-methoxycyclopentyl)methanol
CID 143834833
3-Imino-4-methylcyclopentan-1-ol
CID 145156750
cis-(1S,2R)-2-(hydroxymethyl)-4-iminocyclopentan-1-ol
CID 163638929

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-iminocyclopentan-1-ol?
The IUPAC name of 3-(hydroxymethyl)-4-iminocyclopentan-1-ol (CID 146178043) is 3-(hydroxymethyl)-4-iminocyclopentan-1-ol.
What is the SMILES notation for 3-(hydroxymethyl)-4-iminocyclopentan-1-ol?
The canonical SMILES for 3-(hydroxymethyl)-4-iminocyclopentan-1-ol is [H]/N=C1\CC(O)CC1CO.
What is the InChIKey of 3-(hydroxymethyl)-4-iminocyclopentan-1-ol?
The InChIKey is BWUVDXHMIQQLAI-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NO2/c7-6-2-5(9)1-4(6)3-8/h4-5,7-9H,1-3H2/b7-6+.
What are the key properties of 3-(hydroxymethyl)-4-iminocyclopentan-1-ol?
3-(hydroxymethyl)-4-iminocyclopentan-1-ol has a molecular weight of 129.16 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-iminocyclopentan-1-ol is sourced from PubChem (CID 146178043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).