1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol

C19H16N2O — CID 163678536

IUPAC1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESC=C(N)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H16N2O/c1-13(20)15-7-4-5-9-18(15)21-12-17-16-8-3-2-6-14(16)10-11-19(17)22/h2-12,22H,1,20H2/b21-12+
InChIKeyKUWSWQXEDJWACC-CIAFOILYSA-N
MW288.35 g/mol
LogP4.23
Rot. Bonds3

About 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol

1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 163678536) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol
PubChem CID163678536
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol
SMILESC=C(N)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H16N2O/c1-13(20)15-7-4-5-9-18(15)21-12-17-16-8-3-2-6-14(16)10-11-19(17)22/h2-12,22H,1,20H2/b21-12+
InChIKeyKUWSWQXEDJWACC-CIAFOILYSA-N
XLogP4.23
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
CID 155033275
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 794050
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
CID 2827646
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
CID 135595898
1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
CID 136695197
[5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone
CID 4212429
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol (CID 163678536) is 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol is C=C(N)c1ccccc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is KUWSWQXEDJWACC-CIAFOILYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13(20)15-7-4-5-9-18(15)21-12-17-16-8-3-2-6-14(16)10-11-19(17)22/h2-12,22H,1,20H2/b21-12+.
What are the key properties of 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol?
1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 288.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 163678536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).