1-benzyl-3-propan-2-ylideneindol-2-one

C18H17NO — CID 86011493

IUPAC1-benzyl-3-propan-2-ylideneindol-2-one
SMILESCC(C)=C1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17NO/c1-13(2)17-15-10-6-7-11-16(15)19(18(17)20)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeySAYFYOFMBHZUPB-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.03
Rot. Bonds2

About 1-benzyl-3-propan-2-ylideneindol-2-one

1-benzyl-3-propan-2-ylideneindol-2-one (PubChem CID 86011493) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-3-propan-2-ylideneindol-2-one.

Molecular Properties

Compound Name1-benzyl-3-propan-2-ylideneindol-2-one
PubChem CID86011493
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-benzyl-3-propan-2-ylideneindol-2-one
SMILESCC(C)=C1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17NO/c1-13(2)17-15-10-6-7-11-16(15)19(18(17)20)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKeySAYFYOFMBHZUPB-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(10-benzylacridin-9-ylidene)ethanethiol
CID 88935762
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)-3,3,3-trifluoropropanoic acid
CID 175153636
(3Z)-1-benzyl-3-[(4-methoxyphenyl)-phenylmethylidene]indol-2-one
CID 101359125
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)hexanenitrile
CID 102387405
3-acetyl-1-benzylquinoline-2,4-dione
CID 172882979
2-(1-benzyl-2-oxoindol-3-ylidene)acetamide
CID 76656051
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)-2-(4-nitrophenyl)acetonitrile
CID 141335021
2-[(3E)-2-oxo-3-(1-phenylethylidene)indol-1-yl]acetic acid
CID 58201658
(3E)-3-[(4-chlorophenyl)-phenylmethylidene]-1-[(3,4,5-trihydroxyphenyl)methyl]indol-2-one
CID 51033994
N-[5-(1-benzyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 1240181
(3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one
CID 9408852
methyl 3-[[3-(2-methyl-1-phenylpropylidene)-2-oxoindol-1-yl]methyl]benzoate
CID 75602563

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propan-2-ylideneindol-2-one?
The IUPAC name of 1-benzyl-3-propan-2-ylideneindol-2-one (CID 86011493) is 1-benzyl-3-propan-2-ylideneindol-2-one.
What is the SMILES notation for 1-benzyl-3-propan-2-ylideneindol-2-one?
The canonical SMILES for 1-benzyl-3-propan-2-ylideneindol-2-one is CC(C)=C1C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-propan-2-ylideneindol-2-one?
The InChIKey is SAYFYOFMBHZUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-13(2)17-15-10-6-7-11-16(15)19(18(17)20)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3.
What are the key properties of 1-benzyl-3-propan-2-ylideneindol-2-one?
1-benzyl-3-propan-2-ylideneindol-2-one has a molecular weight of 263.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propan-2-ylideneindol-2-one is sourced from PubChem (CID 86011493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).