1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one

C18H19NO — CID 82091764

IUPAC1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
SMILESCC(C)c1ccc(CN2C(=O)Cc3ccccc32)cc1
InChIInChI=1S/C18H19NO/c1-13(2)15-9-7-14(8-10-15)12-19-17-6-4-3-5-16(17)11-18(19)20/h3-10,13H,11-12H2,1-2H3
InChIKeyAXTZHJRYEAFZTN-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.90
Rot. Bonds3

About 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one

1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one (PubChem CID 82091764) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
PubChem CID82091764
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
SMILESCC(C)c1ccc(CN2C(=O)Cc3ccccc32)cc1
InChIInChI=1S/C18H19NO/c1-13(2)15-9-7-14(8-10-15)12-19-17-6-4-3-5-16(17)11-18(19)20/h3-10,13H,11-12H2,1-2H3
InChIKeyAXTZHJRYEAFZTN-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
3-amino-1-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 21478504
1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
CID 43349881
1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
CID 43350321
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875
1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
CID 29037776
(2R)-2-[[2-oxo-1-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-phenylpropanoic acid
CID 67716839
4-[[5-(1-hydroxyethyl)-2-oxo-3H-indol-1-yl]methyl]benzonitrile
CID 84758433
1-ethyl-6-propan-2-yl-3H-indol-2-one
CID 134294019
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione
CID 66067467
3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
CID 174756583

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one (CID 82091764) is 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one is CC(C)c1ccc(CN2C(=O)Cc3ccccc32)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one?
The InChIKey is AXTZHJRYEAFZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13(2)15-9-7-14(8-10-15)12-19-17-6-4-3-5-16(17)11-18(19)20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one?
1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 82091764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).