(3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone

C14H13N3O — CID 110751082

IUPAC(3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone
SMILESCC1CN(C(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C14H13N3O/c1-10-9-17(13-5-3-2-4-11(10)13)14(18)12-8-15-6-7-16-12/h2-8,10H,9H2,1H3
InChIKeyLNOGBCKHOQPZKL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.24
Rot. Bonds1

About (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone

(3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone (PubChem CID 110751082) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone
PubChem CID110751082
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name(3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone
SMILESCC1CN(C(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C14H13N3O/c1-10-9-17(13-5-3-2-4-11(10)13)14(18)12-8-15-6-7-16-12/h2-8,10H,9H2,1H3
InChIKeyLNOGBCKHOQPZKL-UHFFFAOYSA-N
XLogP2.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751870
N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110744887
4-methyl-5-(pyrazine-2-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 71943192
cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 124951880
3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 43837352
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 82706050
1-(pyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60708488

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone (CID 110751082) is (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone is CC1CN(C(=O)c2cnccn2)c2ccccc21.
What is the InChIKey of (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone?
The InChIKey is LNOGBCKHOQPZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-9-17(13-5-3-2-4-11(10)13)14(18)12-8-15-6-7-16-12/h2-8,10H,9H2,1H3.
What are the key properties of (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone?
(3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone has a molecular weight of 239.28 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 110751082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).