1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one

C17H21NO3 — CID 63951120

IUPAC1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)CCC3CCCCO3)ccc21
InChIInChI=1S/C17H21NO3/c1-18-15-7-5-12(10-13(15)11-17(18)20)16(19)8-6-14-4-2-3-9-21-14/h5,7,10,14H,2-4,6,8-9,11H2,1H3
InChIKeyCDWFXSJJGCRQFW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.74
Rot. Bonds4

About 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one

1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one (PubChem CID 63951120) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one
PubChem CID63951120
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)CCC3CCCCO3)ccc21
InChIInChI=1S/C17H21NO3/c1-18-15-7-5-12(10-13(15)11-17(18)20)16(19)8-6-14-4-2-3-9-21-14/h5,7,10,14H,2-4,6,8-9,11H2,1H3
InChIKeyCDWFXSJJGCRQFW-UHFFFAOYSA-N
XLogP2.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-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

1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one
CID 65160268
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
3-(oxan-2-yl)-1-(1H-pyrrol-3-yl)propan-1-one
CID 63952125
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one
CID 63952520

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one (CID 63951120) is 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)CCC3CCCCO3)ccc21.
What is the InChIKey of 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one?
The InChIKey is CDWFXSJJGCRQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18-15-7-5-12(10-13(15)11-17(18)20)16(19)8-6-14-4-2-3-9-21-14/h5,7,10,14H,2-4,6,8-9,11H2,1H3.
What are the key properties of 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one?
1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one is sourced from PubChem (CID 63951120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).