2-iminopentan-3-ol

C5H11NO — CID 89425727

IUPAC2-iminopentan-3-ol
SMILES[H]/N=C(\C)C(O)CC
InChIInChI=1S/C5H11NO/c1-3-5(7)4(2)6/h5-7H,3H2,1-2H3/b6-4+
InChIKeyPTJSIIBIAAKAJC-GQCTYLIASA-N
MW101.15 g/mol
LogP0.80
Rot. Bonds2

About 2-iminopentan-3-ol

2-iminopentan-3-ol (PubChem CID 89425727) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-iminopentan-3-ol.

Molecular Properties

Compound Name2-iminopentan-3-ol
PubChem CID89425727
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-iminopentan-3-ol
SMILES[H]/N=C(\C)C(O)CC
InChIInChI=1S/C5H11NO/c1-3-5(7)4(2)6/h5-7H,3H2,1-2H3/b6-4+
InChIKeyPTJSIIBIAAKAJC-GQCTYLIASA-N
XLogP0.80
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
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 2-iminopentan-3-ol?
The IUPAC name of 2-iminopentan-3-ol (CID 89425727) is 2-iminopentan-3-ol.
What is the SMILES notation for 2-iminopentan-3-ol?
The canonical SMILES for 2-iminopentan-3-ol is [H]/N=C(\C)C(O)CC.
What is the InChIKey of 2-iminopentan-3-ol?
The InChIKey is PTJSIIBIAAKAJC-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(7)4(2)6/h5-7H,3H2,1-2H3/b6-4+.
What are the key properties of 2-iminopentan-3-ol?
2-iminopentan-3-ol has a molecular weight of 101.15 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminopentan-3-ol is sourced from PubChem (CID 89425727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).