3-imino-4-methylcyclopentan-1-ol

C6H11NO — CID 145156750

IUPAC3-imino-4-methylcyclopentan-1-ol
SMILES[H]/N=C1\CC(O)CC1C
InChIInChI=1S/C6H11NO/c1-4-2-5(8)3-6(4)7/h4-5,7-8H,2-3H2,1H3/b7-6+
InChIKeyFNSSRQUHGABENZ-VOTSOKGWSA-N
MW113.16 g/mol
LogP0.80
Rot. Bonds

About 3-imino-4-methylcyclopentan-1-ol

3-imino-4-methylcyclopentan-1-ol (PubChem CID 145156750) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-imino-4-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-imino-4-methylcyclopentan-1-ol
PubChem CID145156750
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-imino-4-methylcyclopentan-1-ol
SMILES[H]/N=C1\CC(O)CC1C
InChIInChI=1S/C6H11NO/c1-4-2-5(8)3-6(4)7/h4-5,7-8H,2-3H2,1H3/b7-6+
InChIKeyFNSSRQUHGABENZ-VOTSOKGWSA-N
XLogP0.80
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
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-imino-4-methylcyclopentan-1-ol?
The IUPAC name of 3-imino-4-methylcyclopentan-1-ol (CID 145156750) is 3-imino-4-methylcyclopentan-1-ol.
What is the SMILES notation for 3-imino-4-methylcyclopentan-1-ol?
The canonical SMILES for 3-imino-4-methylcyclopentan-1-ol is [H]/N=C1\CC(O)CC1C.
What is the InChIKey of 3-imino-4-methylcyclopentan-1-ol?
The InChIKey is FNSSRQUHGABENZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-2-5(8)3-6(4)7/h4-5,7-8H,2-3H2,1H3/b7-6+.
What are the key properties of 3-imino-4-methylcyclopentan-1-ol?
3-imino-4-methylcyclopentan-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4-methylcyclopentan-1-ol is sourced from PubChem (CID 145156750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).