[3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone

C18H17N3O — CID 14613421

IUPAC[3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone
SMILESCN(C)/N=C/c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C18H17N3O/c1-20(2)19-12-15-13-21(17-11-7-6-10-16(15)17)18(22)14-8-4-3-5-9-14/h3-13H,1-2H3/b19-12+
InChIKeyBNYMTEQNPCISIC-XDHOZWIPSA-N
MW291.35 g/mol
LogP3.23
Rot. Bonds3

About [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone

[3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone (PubChem CID 14613421) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone
PubChem CID14613421
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name[3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone
SMILESCN(C)/N=C/c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C18H17N3O/c1-20(2)19-12-15-13-21(17-11-7-6-10-16(15)17)18(22)14-8-4-3-5-9-14/h3-13H,1-2H3/b19-12+
InChIKeyBNYMTEQNPCISIC-XDHOZWIPSA-N
XLogP3.23
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone?
The IUPAC name of [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone (CID 14613421) is [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone?
The canonical SMILES for [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone is CN(C)/N=C/c1cn(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone?
The InChIKey is BNYMTEQNPCISIC-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O/c1-20(2)19-12-15-13-21(17-11-7-6-10-16(15)17)18(22)14-8-4-3-5-9-14/h3-13H,1-2H3/b19-12+.
What are the key properties of [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone?
[3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone has a molecular weight of 291.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone is sourced from PubChem (CID 14613421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).