2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone

C16H14N2O — CID 122502753

IUPAC2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
SMILESC=Nc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H14N2O/c1-17-14-8-4-3-7-13(14)16(19)18-11-10-12-6-2-5-9-15(12)18/h2-9H,1,10-11H2
InChIKeyAJKRLKWYFVTDGC-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.22
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone

2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone (PubChem CID 122502753) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
PubChem CID122502753
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
SMILESC=Nc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H14N2O/c1-17-14-8-4-3-7-13(14)16(19)18-11-10-12-6-2-5-9-15(12)18/h2-9H,1,10-11H2
InChIKeyAJKRLKWYFVTDGC-UHFFFAOYSA-N
XLogP3.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone
CID 70863755
(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 55099809
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
2-(2,3-dihydroindole-1-carbonyl)-6-nitrobenzoic acid
CID 4313762
(2-chlorofuran-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 106685283
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
2,3-dihydroindol-1-yl(imidazo[1,2-a]pyridin-8-yl)methanone
CID 110704438
2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
CID 31289185
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone (CID 122502753) is 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone is C=Nc1ccccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone?
The InChIKey is AJKRLKWYFVTDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-17-14-8-4-3-7-13(14)16(19)18-11-10-12-6-2-5-9-15(12)18/h2-9H,1,10-11H2.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone?
2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone has a molecular weight of 250.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone is sourced from PubChem (CID 122502753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).