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

C14H17NO2 — CID 21395587

IUPAC1-(2-methylindol-1-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)Cn1c(C)cc2ccccc21
InChIInChI=1S/C14H17NO2/c1-10-8-13-6-4-5-7-14(13)15(10)9-11(2)17-12(3)16/h4-8,11H,9H2,1-3H3
InChIKeyWVDNPAMZTQADMQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.90
Rot. Bonds3

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

1-(2-methylindol-1-yl)propan-2-yl acetate (PubChem CID 21395587) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2-methylindol-1-yl)propan-2-yl acetate.

Molecular Properties

Compound Name1-(2-methylindol-1-yl)propan-2-yl acetate
PubChem CID21395587
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(2-methylindol-1-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)Cn1c(C)cc2ccccc21
InChIInChI=1S/C14H17NO2/c1-10-8-13-6-4-5-7-14(13)15(10)9-11(2)17-12(3)16/h4-8,11H,9H2,1-3H3
InChIKeyWVDNPAMZTQADMQ-UHFFFAOYSA-N
XLogP2.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylindol-1-yl)propan-2-yl acetate?
The IUPAC name of 1-(2-methylindol-1-yl)propan-2-yl acetate (CID 21395587) is 1-(2-methylindol-1-yl)propan-2-yl acetate.
What is the SMILES notation for 1-(2-methylindol-1-yl)propan-2-yl acetate?
The canonical SMILES for 1-(2-methylindol-1-yl)propan-2-yl acetate is CC(=O)OC(C)Cn1c(C)cc2ccccc21.
What is the InChIKey of 1-(2-methylindol-1-yl)propan-2-yl acetate?
The InChIKey is WVDNPAMZTQADMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-8-13-6-4-5-7-14(13)15(10)9-11(2)17-12(3)16/h4-8,11H,9H2,1-3H3.
What are the key properties of 1-(2-methylindol-1-yl)propan-2-yl acetate?
1-(2-methylindol-1-yl)propan-2-yl acetate has a molecular weight of 231.29 g/mol, XLogP of 2.90, 3 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)propan-2-yl acetate is sourced from PubChem (CID 21395587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).