7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one

C17H17NO2 — CID 154636009

IUPAC7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one
SMILESCC1C=CC=CC1(C)Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H17NO2/c1-12-5-3-4-10-17(12,2)18-14-8-6-13-7-9-16(19)20-15(13)11-14/h3-12,18H,1-2H3
InChIKeyPWRXGSPSIUVXRG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.73
Rot. Bonds2

About 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one

7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one (PubChem CID 154636009) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one.

Molecular Properties

Compound Name7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one
PubChem CID154636009
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one
SMILESCC1C=CC=CC1(C)Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H17NO2/c1-12-5-3-4-10-17(12,2)18-14-8-6-13-7-9-16(19)20-15(13)11-14/h3-12,18H,1-2H3
InChIKeyPWRXGSPSIUVXRG-UHFFFAOYSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-methylbut-2-enylamino)chromen-2-one
CID 11974506
7-[(E)-(methylhydrazinylidene)methyl]chromen-2-one
CID 10397938
7-aminochromen-2-one;ethane
CID 166456004
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)chromen-2-one
CID 46781076
N-(2-oxochromen-7-yl)-1-benzoxepine-4-carboxamide
CID 16648760
7-(4-methylphenyl)chromen-2-one
CID 50994676
7-sulfanylchromen-2-one;hydrobromide
CID 173228168
7-[[(2S,4R)-1,3,4,5,6-pentahydroxyhexan-2-yl]amino]chromen-2-one
CID 118450168
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
trans-(1R,3R)-2,2-dimethyl-3-[(2-oxochromen-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95389345
(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 7290663
7-[5-(3,3-dimethyloxiran-2-yl)-3-methylpentoxy]chromen-2-one
CID 85108316

Frequently Asked Questions

What is the IUPAC name of 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one?
The IUPAC name of 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one (CID 154636009) is 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one.
What is the SMILES notation for 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one?
The canonical SMILES for 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one is CC1C=CC=CC1(C)Nc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one?
The InChIKey is PWRXGSPSIUVXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-5-3-4-10-17(12,2)18-14-8-6-13-7-9-16(19)20-15(13)11-14/h3-12,18H,1-2H3.
What are the key properties of 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one?
7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,6-dimethylcyclohexa-2,4-dien-1-yl)amino]chromen-2-one is sourced from PubChem (CID 154636009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).