1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone

C14H18N2O — CID 115146259

IUPAC1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone
SMILESCCCN(C)c1[nH]c2ccccc2c1C(C)=O
InChIInChI=1S/C14H18N2O/c1-4-9-16(3)14-13(10(2)17)11-7-5-6-8-12(11)15-14/h5-8,15H,4,9H2,1-3H3
InChIKeyBSHJLEQFZJPJBN-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone

1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone (PubChem CID 115146259) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone
PubChem CID115146259
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone
SMILESCCCN(C)c1[nH]c2ccccc2c1C(C)=O
InChIInChI=1S/C14H18N2O/c1-4-9-16(3)14-13(10(2)17)11-7-5-6-8-12(11)15-14/h5-8,15H,4,9H2,1-3H3
InChIKeyBSHJLEQFZJPJBN-UHFFFAOYSA-N
XLogP3.22
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone?
The IUPAC name of 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone (CID 115146259) is 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone.
What is the SMILES notation for 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone?
The canonical SMILES for 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone is CCCN(C)c1[nH]c2ccccc2c1C(C)=O.
What is the InChIKey of 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone?
The InChIKey is BSHJLEQFZJPJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-9-16(3)14-13(10(2)17)11-7-5-6-8-12(11)15-14/h5-8,15H,4,9H2,1-3H3.
What are the key properties of 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone?
1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone has a molecular weight of 230.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone is sourced from PubChem (CID 115146259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).