(3E)-1-methyl-3-propylideneindol-2-one

C12H13NO — CID 58101344

IUPAC(3E)-1-methyl-3-propylideneindol-2-one
SMILESCC/C=C1/C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H13NO/c1-3-6-10-9-7-4-5-8-11(9)13(2)12(10)14/h4-8H,3H2,1-2H3/b10-6+
InChIKeyBFAISGMQXIUTSX-UXBLZVDNSA-N
MW187.24 g/mol
LogP2.46
Rot. Bonds1

About (3E)-1-methyl-3-propylideneindol-2-one

(3E)-1-methyl-3-propylideneindol-2-one (PubChem CID 58101344) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (3E)-1-methyl-3-propylideneindol-2-one.

Molecular Properties

Compound Name(3E)-1-methyl-3-propylideneindol-2-one
PubChem CID58101344
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(3E)-1-methyl-3-propylideneindol-2-one
SMILESCC/C=C1/C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H13NO/c1-3-6-10-9-7-4-5-8-11(9)13(2)12(10)14/h4-8H,3H2,1-2H3/b10-6+
InChIKeyBFAISGMQXIUTSX-UXBLZVDNSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.46
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

3-ethylidene-1-methylindol-2-one
CID 85157103
(11E)-11-(3-bromopropylidene)-5-methylbenzo[c][1]benzazepin-6-one
CID 22998968
1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
CID 4209070
2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride
CID 164576931
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one
CID 113217895
3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
CID 964242
(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964148
(3Z)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964149
methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
CID 11367934
3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one
CID 964278
1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one
CID 964257

Frequently Asked Questions

What is the IUPAC name of (3E)-1-methyl-3-propylideneindol-2-one?
The IUPAC name of (3E)-1-methyl-3-propylideneindol-2-one (CID 58101344) is (3E)-1-methyl-3-propylideneindol-2-one.
What is the SMILES notation for (3E)-1-methyl-3-propylideneindol-2-one?
The canonical SMILES for (3E)-1-methyl-3-propylideneindol-2-one is CC/C=C1/C(=O)N(C)c2ccccc21.
What is the InChIKey of (3E)-1-methyl-3-propylideneindol-2-one?
The InChIKey is BFAISGMQXIUTSX-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-6-10-9-7-4-5-8-11(9)13(2)12(10)14/h4-8H,3H2,1-2H3/b10-6+.
What are the key properties of (3E)-1-methyl-3-propylideneindol-2-one?
(3E)-1-methyl-3-propylideneindol-2-one has a molecular weight of 187.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-3-propylideneindol-2-one is sourced from PubChem (CID 58101344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).