2-imino-1-phenylpropan-1-ol

C9H11NO — CID 58308766

IUPAC2-imino-1-phenylpropan-1-ol
SMILES[H]/N=C(\C)C(O)c1ccccc1
InChIInChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9-11H,1H3/b10-7+
InChIKeyPCSXIIASWNEIPY-JXMROGBWSA-N
MW149.19 g/mol
LogP1.76
Rot. Bonds2

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

2-imino-1-phenylpropan-1-ol (PubChem CID 58308766) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-imino-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-imino-1-phenylpropan-1-ol
PubChem CID58308766
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-imino-1-phenylpropan-1-ol
SMILES[H]/N=C(\C)C(O)c1ccccc1
InChIInChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9-11H,1H3/b10-7+
InChIKeyPCSXIIASWNEIPY-JXMROGBWSA-N
XLogP1.76
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.76
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-imino-1-phenylpropan-1-ol?
The IUPAC name of 2-imino-1-phenylpropan-1-ol (CID 58308766) is 2-imino-1-phenylpropan-1-ol.
What is the SMILES notation for 2-imino-1-phenylpropan-1-ol?
The canonical SMILES for 2-imino-1-phenylpropan-1-ol is [H]/N=C(\C)C(O)c1ccccc1.
What is the InChIKey of 2-imino-1-phenylpropan-1-ol?
The InChIKey is PCSXIIASWNEIPY-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9-11H,1H3/b10-7+.
What are the key properties of 2-imino-1-phenylpropan-1-ol?
2-imino-1-phenylpropan-1-ol has a molecular weight of 149.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-phenylpropan-1-ol is sourced from PubChem (CID 58308766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).