1-(2-methylindol-1-yl)butan-2-yl acetate

C15H19NO2 — CID 21395604

IUPAC1-(2-methylindol-1-yl)butan-2-yl acetate
SMILESCCC(Cn1c(C)cc2ccccc21)OC(C)=O
InChIInChI=1S/C15H19NO2/c1-4-14(18-12(3)17)10-16-11(2)9-13-7-5-6-8-15(13)16/h5-9,14H,4,10H2,1-3H3
InChIKeyQPUFAGXZKSEJTN-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.29
Rot. Bonds4

About 1-(2-methylindol-1-yl)butan-2-yl acetate

1-(2-methylindol-1-yl)butan-2-yl acetate (PubChem CID 21395604) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2-methylindol-1-yl)butan-2-yl acetate.

Molecular Properties

Compound Name1-(2-methylindol-1-yl)butan-2-yl acetate
PubChem CID21395604
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2-methylindol-1-yl)butan-2-yl acetate
SMILESCCC(Cn1c(C)cc2ccccc21)OC(C)=O
InChIInChI=1S/C15H19NO2/c1-4-14(18-12(3)17)10-16-11(2)9-13-7-5-6-8-15(13)16/h5-9,14H,4,10H2,1-3H3
InChIKeyQPUFAGXZKSEJTN-UHFFFAOYSA-N
XLogP3.29
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylindol-1-yl)butan-2-yl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylindol-1-yl)butan-2-yl acetate?
The IUPAC name of 1-(2-methylindol-1-yl)butan-2-yl acetate (CID 21395604) is 1-(2-methylindol-1-yl)butan-2-yl acetate.
What is the SMILES notation for 1-(2-methylindol-1-yl)butan-2-yl acetate?
The canonical SMILES for 1-(2-methylindol-1-yl)butan-2-yl acetate is CCC(Cn1c(C)cc2ccccc21)OC(C)=O.
What is the InChIKey of 1-(2-methylindol-1-yl)butan-2-yl acetate?
The InChIKey is QPUFAGXZKSEJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-14(18-12(3)17)10-16-11(2)9-13-7-5-6-8-15(13)16/h5-9,14H,4,10H2,1-3H3.
What are the key properties of 1-(2-methylindol-1-yl)butan-2-yl acetate?
1-(2-methylindol-1-yl)butan-2-yl acetate has a molecular weight of 245.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylindol-1-yl)butan-2-yl acetate is sourced from PubChem (CID 21395604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).