1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one

C15H17NO2 — CID 10847818

IUPAC1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one
SMILESC=CC(C)C1(C)C(=O)c2ccccc2N1C(C)=O
InChIInChI=1S/C15H17NO2/c1-5-10(2)15(4)14(18)12-8-6-7-9-13(12)16(15)11(3)17/h5-10H,1H2,2-4H3
InChIKeyYGCOFDDKHKUPLS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.82
Rot. Bonds2

About 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one

1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one (PubChem CID 10847818) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one.

Molecular Properties

Compound Name1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one
PubChem CID10847818
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one
SMILESC=CC(C)C1(C)C(=O)c2ccccc2N1C(C)=O
InChIInChI=1S/C15H17NO2/c1-5-10(2)15(4)14(18)12-8-6-7-9-13(12)16(15)11(3)17/h5-10H,1H2,2-4H3
InChIKeyYGCOFDDKHKUPLS-UHFFFAOYSA-N
XLogP2.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one
CID 122377580
(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one
CID 122377588
1-(2,2,4-trimethylquinolin-1-yl)ethanone
CID 698299
1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone
CID 10900477
tert-butyl 3-oxo-2,2-bis(prop-2-enyl)indole-1-carboxylate
CID 135029595
tert-butyl 2-hydroperoxy-2-methyl-3-methylideneindole-1-carboxylate
CID 10356140
methyl (7aS)-7-oxooxazireno[2,3-a]indole-7a-carboxylate
CID 7053675
(2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one
CID 944769
1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one
CID 162400921
N-methyl-3'-oxospiro[cyclopropane-1,2'-indole]-1'-carboxamide
CID 12701942
(2S)-1-acetyl-6-chloro-2-methyl-2-prop-2-enylindol-3-one
CID 122377583
1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one
CID 21318563

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one?
The IUPAC name of 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one (CID 10847818) is 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one.
What is the SMILES notation for 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one?
The canonical SMILES for 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one is C=CC(C)C1(C)C(=O)c2ccccc2N1C(C)=O.
What is the InChIKey of 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one?
The InChIKey is YGCOFDDKHKUPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-5-10(2)15(4)14(18)12-8-6-7-9-13(12)16(15)11(3)17/h5-10H,1H2,2-4H3.
What are the key properties of 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one?
1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one has a molecular weight of 243.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one is sourced from PubChem (CID 10847818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).