1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol

C13H15NO — CID 123360794

IUPAC1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol
SMILESC=C/N=C(\C=C)c1cccc(C(C)O)c1
InChIInChI=1S/C13H15NO/c1-4-13(14-5-2)12-8-6-7-11(9-12)10(3)15/h4-10,15H,1-2H2,3H3/b14-13+
InChIKeyWIOVTWYDIAQQFV-BUHFOSPRSA-N
MW201.27 g/mol
LogP2.86
Rot. Bonds4

About 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol

1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol (PubChem CID 123360794) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol
PubChem CID123360794
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol
SMILESC=C/N=C(\C=C)c1cccc(C(C)O)c1
InChIInChI=1S/C13H15NO/c1-4-13(14-5-2)12-8-6-7-11(9-12)10(3)15/h4-10,15H,1-2H2,3H3/b14-13+
InChIKeyWIOVTWYDIAQQFV-BUHFOSPRSA-N
XLogP2.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-Fluoro-5-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol
CID 127026063
[3-(2,3,4,5-Tetrahydropyridin-6-yl)phenyl]methanol
CID 127027055
(R)-2-Methylimino-1-phenylpropan-1-ol
CID 656502
2-Imino-1-hydroxy-1-phenylpropane
CID 58308766
1-Hydroxy-1h-benzo[d]azepine
CID 67873283
2-Methylimino-1-phenylpropan-1-ol
CID 78202320
[3-Fluoro-5-(methyliminomethyl)phenyl]methanol
CID 130252133
1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
CID 134287066
(1R)-2,2,2-trifluoro-1-(1-methyl-3,4-dihydroisoquinolin-5-yl)ethanol
CID 141485704
9-Fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol
CID 142980732
1-[3,5-Bis(trifluoromethyl)phenyl]-3-methyliminopropan-1-ol
CID 143804832
[4-Fluoro-3-(2-methyliminoethyl)phenyl]methanol
CID 145016597

Frequently Asked Questions

What is the IUPAC name of 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol?
The IUPAC name of 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol (CID 123360794) is 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol is C=C/N=C(\C=C)c1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol?
The InChIKey is WIOVTWYDIAQQFV-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-13(14-5-2)12-8-6-7-11(9-12)10(3)15/h4-10,15H,1-2H2,3H3/b14-13+.
What are the key properties of 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol?
1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol has a molecular weight of 201.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol is sourced from PubChem (CID 123360794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).