4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one

C17H17NO3 — CID 110699372

IUPAC4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H17NO3/c1-10-8-15(19)21-12(3)16(10)17(20)18-11(2)9-13-6-4-5-7-14(13)18/h4-8,11H,9H2,1-3H3
InChIKeyQOJGLZRCDYEQRJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.85
Rot. Bonds1

About 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one

4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one (PubChem CID 110699372) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one
PubChem CID110699372
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H17NO3/c1-10-8-15(19)21-12(3)16(10)17(20)18-11(2)9-13-6-4-5-7-14(13)18/h4-8,11H,9H2,1-3H3
InChIKeyQOJGLZRCDYEQRJ-UHFFFAOYSA-N
XLogP2.85
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N,N,2-trimethyl-5-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]furan-3-sulfonamide
CID 51894301
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
(5-amino-2-fluoro-3-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 103295777
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 104851784
(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100527033

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one?
The IUPAC name of 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one (CID 110699372) is 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one.
What is the SMILES notation for 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one?
The canonical SMILES for 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one is Cc1cc(=O)oc(C)c1C(=O)N1c2ccccc2CC1C.
What is the InChIKey of 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one?
The InChIKey is QOJGLZRCDYEQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10-8-15(19)21-12(3)16(10)17(20)18-11(2)9-13-6-4-5-7-14(13)18/h4-8,11H,9H2,1-3H3.
What are the key properties of 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one?
4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one is sourced from PubChem (CID 110699372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).