1-imino-3-phenylpropan-2-ol

C9H11NO — CID 88638340

IUPAC1-imino-3-phenylpropan-2-ol
SMILES[H]/N=C/C(O)Cc1ccccc1
InChIInChI=1S/C9H11NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,7,9-11H,6H2/b10-7+
InChIKeyQPZGMCWOHACLQE-JXMROGBWSA-N
MW149.19 g/mol
LogP1.24
Rot. Bonds3

About 1-imino-3-phenylpropan-2-ol

1-imino-3-phenylpropan-2-ol (PubChem CID 88638340) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-imino-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-imino-3-phenylpropan-2-ol
PubChem CID88638340
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-imino-3-phenylpropan-2-ol
SMILES[H]/N=C/C(O)Cc1ccccc1
InChIInChI=1S/C9H11NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,7,9-11H,6H2/b10-7+
InChIKeyQPZGMCWOHACLQE-JXMROGBWSA-N
XLogP1.24
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.24
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 1-imino-3-phenylpropan-2-ol?
The IUPAC name of 1-imino-3-phenylpropan-2-ol (CID 88638340) is 1-imino-3-phenylpropan-2-ol.
What is the SMILES notation for 1-imino-3-phenylpropan-2-ol?
The canonical SMILES for 1-imino-3-phenylpropan-2-ol is [H]/N=C/C(O)Cc1ccccc1.
What is the InChIKey of 1-imino-3-phenylpropan-2-ol?
The InChIKey is QPZGMCWOHACLQE-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,7,9-11H,6H2/b10-7+.
What are the key properties of 1-imino-3-phenylpropan-2-ol?
1-imino-3-phenylpropan-2-ol has a molecular weight of 149.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-3-phenylpropan-2-ol is sourced from PubChem (CID 88638340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).