2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile

C10H7N3O — CID 136927852

IUPAC2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(/C=N/O)cc12
InChIInChI=1S/C10H7N3O/c11-5-7-2-1-3-10-9(7)4-8(13-10)6-12-14/h1-4,6,13-14H/b12-6+
InChIKeyUXUMRBSVVVVLSW-WUXMJOGZSA-N
MW185.19 g/mol
LogP1.85
Rot. Bonds1

About 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile

2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile (PubChem CID 136927852) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile
PubChem CID136927852
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(/C=N/O)cc12
InChIInChI=1S/C10H7N3O/c11-5-7-2-1-3-10-9(7)4-8(13-10)6-12-14/h1-4,6,13-14H/b12-6+
InChIKeyUXUMRBSVVVVLSW-WUXMJOGZSA-N
XLogP1.85
TPSA72.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(1H-pyrazol-5-yl)-1H-indole-4-carbonitrile
CID 135545325
2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile
CID 170993041
5-chloro-2-oxo-1H-quinoline-3-carbonitrile
CID 139530349
3-(fluoromethyl)-2-[(E)-hydroxyiminomethyl]benzonitrile
CID 145443411
2-(1H-indol-3-ylmethylideneamino)benzonitrile
CID 686965
2-(9H-carbazol-4-yl)benzonitrile
CID 171060535
(NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 136963509
N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 137199838
N-[(5-methyl-1H-indol-2-yl)methylidene]hydroxylamine
CID 137199836
N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 171488099
9H-carbazole-1,5-dicarbonitrile
CID 134477332
2-chloro-4-(hydroxyiminomethyl)benzonitrile
CID 73410963

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile (CID 136927852) is 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile is N#Cc1cccc2[nH]c(/C=N/O)cc12.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile?
The InChIKey is UXUMRBSVVVVLSW-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H7N3O/c11-5-7-2-1-3-10-9(7)4-8(13-10)6-12-14/h1-4,6,13-14H/b12-6+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile?
2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hydroxyiminomethyl]-1H-indole-4-carbonitrile is sourced from PubChem (CID 136927852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).