3-methanimidoylcyclopentan-1-ol

C6H11NO — CID 130266062

IUPAC3-methanimidoylcyclopentan-1-ol
SMILES[H]/N=C/C1CCC(O)C1
InChIInChI=1S/C6H11NO/c7-4-5-1-2-6(8)3-5/h4-8H,1-3H2/b7-4+
InChIKeyJCPKDQOLLLKALX-QPJJXVBHSA-N
MW113.16 g/mol
LogP0.80
Rot. Bonds1

About 3-methanimidoylcyclopentan-1-ol

3-methanimidoylcyclopentan-1-ol (PubChem CID 130266062) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methanimidoylcyclopentan-1-ol.

Molecular Properties

Compound Name3-methanimidoylcyclopentan-1-ol
PubChem CID130266062
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methanimidoylcyclopentan-1-ol
SMILES[H]/N=C/C1CCC(O)C1
InChIInChI=1S/C6H11NO/c7-4-5-1-2-6(8)3-5/h4-8H,1-3H2/b7-4+
InChIKeyJCPKDQOLLLKALX-QPJJXVBHSA-N
XLogP0.80
TPSA44.08 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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methanimidoylcyclopentan-1-ol?
The IUPAC name of 3-methanimidoylcyclopentan-1-ol (CID 130266062) is 3-methanimidoylcyclopentan-1-ol.
What is the SMILES notation for 3-methanimidoylcyclopentan-1-ol?
The canonical SMILES for 3-methanimidoylcyclopentan-1-ol is [H]/N=C/C1CCC(O)C1.
What is the InChIKey of 3-methanimidoylcyclopentan-1-ol?
The InChIKey is JCPKDQOLLLKALX-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO/c7-4-5-1-2-6(8)3-5/h4-8H,1-3H2/b7-4+.
What are the key properties of 3-methanimidoylcyclopentan-1-ol?
3-methanimidoylcyclopentan-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoylcyclopentan-1-ol is sourced from PubChem (CID 130266062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).