1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol

C13H17NO — CID 135364826

IUPAC1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol
SMILESC=CCc1ccc(/C=N/CC(C)O)cc1
InChIInChI=1S/C13H17NO/c1-3-4-12-5-7-13(8-6-12)10-14-9-11(2)15/h3,5-8,10-11,15H,1,4,9H2,2H3/b14-10+
InChIKeySFHJAPWPXQLEGB-GXDHUFHOSA-N
MW203.28 g/mol
LogP2.21
Rot. Bonds5

About 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol

1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol (PubChem CID 135364826) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol
PubChem CID135364826
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol
SMILESC=CCc1ccc(/C=N/CC(C)O)cc1
InChIInChI=1S/C13H17NO/c1-3-4-12-5-7-13(8-6-12)10-14-9-11(2)15/h3,5-8,10-11,15H,1,4,9H2,2H3/b14-10+
InChIKeySFHJAPWPXQLEGB-GXDHUFHOSA-N
XLogP2.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol?
The IUPAC name of 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol (CID 135364826) is 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol.
What is the SMILES notation for 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol?
The canonical SMILES for 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol is C=CCc1ccc(/C=N/CC(C)O)cc1.
What is the InChIKey of 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol?
The InChIKey is SFHJAPWPXQLEGB-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-4-12-5-7-13(8-6-12)10-14-9-11(2)15/h3,5-8,10-11,15H,1,4,9H2,2H3/b14-10+.
What are the key properties of 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol?
1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-prop-2-enylphenyl)methylideneamino]propan-2-ol is sourced from PubChem (CID 135364826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).