3-(1H-indol-3-yl)-N-methylpropanamide

C12H14N2O — CID 7661699

IUPAC3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-13-12(15)7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyYRFPBFOOZPGAAH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.85
Rot. Bonds3

About 3-(1H-indol-3-yl)-N-methylpropanamide

3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 7661699) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID7661699
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-13-12(15)7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyYRFPBFOOZPGAAH-UHFFFAOYSA-N
XLogP1.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-methylpropanamide (CID 7661699) is 3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-methylpropanamide is CNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is YRFPBFOOZPGAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-13-12(15)7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of 3-(1H-indol-3-yl)-N-methylpropanamide?
3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 202.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 7661699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).