4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol

C19H17N3O2 — CID 143959197

IUPAC4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol
SMILESC=CN(C=C)c1c(C=NO)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C19H17N3O2/c1-3-21(4-2)19-17(13-20-24)16-7-5-6-8-18(16)22(19)14-9-11-15(23)12-10-14/h3-13,23-24H,1-2H2
InChIKeyBXACOUZDLYGLMH-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.24
Rot. Bonds5

About 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol

4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol (PubChem CID 143959197) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol.

Molecular Properties

Compound Name4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol
PubChem CID143959197
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol
SMILESC=CN(C=C)c1c(C=NO)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C19H17N3O2/c1-3-21(4-2)19-17(13-20-24)16-7-5-6-8-18(16)22(19)14-9-11-15(23)12-10-14/h3-13,23-24H,1-2H2
InChIKeyBXACOUZDLYGLMH-UHFFFAOYSA-N
XLogP4.24
TPSA60.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343577
4-[2-(1-ethylpyrrol-2-yl)-3-(hydroxyiminomethyl)indol-1-yl]phenol
CID 173065292
4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol
CID 87343604
1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
CID 87772568
4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343401
4-[4-chloro-2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(hydroxyiminomethyl)indol-1-yl]phenol
CID 140566192
2-bromo-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-(dimethylamino)-1-(4-hydroxyphenyl)indole-3-carbonitrile
CID 159785226
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
methyl 3-chloro-1-[4-(hydroxyiminomethyl)phenyl]indole-2-carboxylate
CID 173077659
3-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]phenol
CID 87343705
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol?
The IUPAC name of 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol (CID 143959197) is 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol.
What is the SMILES notation for 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol?
The canonical SMILES for 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol is C=CN(C=C)c1c(C=NO)c2ccccc2n1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol?
The InChIKey is BXACOUZDLYGLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-3-21(4-2)19-17(13-20-24)16-7-5-6-8-18(16)22(19)14-9-11-15(23)12-10-14/h3-13,23-24H,1-2H2.
What are the key properties of 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol?
4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol has a molecular weight of 319.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol is sourced from PubChem (CID 143959197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).