1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one

C16H18N2O — CID 139258726

IUPAC1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one
SMILESCc1cccc2[nH]cc(CCN3C=CCCC3=O)c12
InChIInChI=1S/C16H18N2O/c1-12-5-4-6-14-16(12)13(11-17-14)8-10-18-9-3-2-7-15(18)19/h3-6,9,11,17H,2,7-8,10H2,1H3
InChIKeyQTIIIJOBGUGXIT-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.15
Rot. Bonds3

About 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one

1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one (PubChem CID 139258726) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one
PubChem CID139258726
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one
SMILESCc1cccc2[nH]cc(CCN3C=CCCC3=O)c12
InChIInChI=1S/C16H18N2O/c1-12-5-4-6-14-16(12)13(11-17-14)8-10-18-9-3-2-7-15(18)19/h3-6,9,11,17H,2,7-8,10H2,1H3
InChIKeyQTIIIJOBGUGXIT-UHFFFAOYSA-N
XLogP3.15
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one?
The IUPAC name of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one (CID 139258726) is 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one is Cc1cccc2[nH]cc(CCN3C=CCCC3=O)c12.
What is the InChIKey of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one?
The InChIKey is QTIIIJOBGUGXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-5-4-6-14-16(12)13(11-17-14)8-10-18-9-3-2-7-15(18)19/h3-6,9,11,17H,2,7-8,10H2,1H3.
What are the key properties of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one?
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3,4-dihydropyridin-2-one is sourced from PubChem (CID 139258726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).