1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one

C13H15NO — CID 143014619

IUPAC1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one
SMILESC/C=C\CN1C(=O)Cc2cc(C)ccc21
InChIInChI=1S/C13H15NO/c1-3-4-7-14-12-6-5-10(2)8-11(12)9-13(14)15/h3-6,8H,7,9H2,1-2H3/b4-3-
InChIKeyQGNKYSNVNYLWGI-ARJAWSKDSA-N
MW201.27 g/mol
LogP2.46
Rot. Bonds2

About 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one

1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one (PubChem CID 143014619) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one
PubChem CID143014619
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one
SMILESC/C=C\CN1C(=O)Cc2cc(C)ccc21
InChIInChI=1S/C13H15NO/c1-3-4-7-14-12-6-5-10(2)8-11(12)9-13(14)15/h3-6,8H,7,9H2,1-2H3/b4-3-
InChIKeyQGNKYSNVNYLWGI-ARJAWSKDSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde
CID 142946581
methyl 2-(5-methyl-2-oxo-3H-indol-1-yl)acetate
CID 58828801
1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one
CID 169265601
1-(5-bromopentyl)-5-methyl-3H-indol-2-one
CID 57128924
(E)-4-[5-(methylamino)-2-oxo-3H-indol-1-yl]but-2-enoic acid
CID 115236990
1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172057
7-amino-4-[(E)-but-2-enyl]-1,4-benzoxazin-3-one
CID 107900545
1-[(3,5-dimethylphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79787632
5-methyl-1-(4-methylphenyl)sulfonyl-3H-indol-2-one
CID 71697522
N,N-dimethylmethanamine;2,7,10-trimethyl-9H-acridine
CID 162173343
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one?
The IUPAC name of 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one (CID 143014619) is 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one.
What is the SMILES notation for 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one?
The canonical SMILES for 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one is C/C=C\CN1C(=O)Cc2cc(C)ccc21.
What is the InChIKey of 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one?
The InChIKey is QGNKYSNVNYLWGI-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-4-7-14-12-6-5-10(2)8-11(12)9-13(14)15/h3-6,8H,7,9H2,1-2H3/b4-3-.
What are the key properties of 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one?
1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one is sourced from PubChem (CID 143014619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).