1-(pyridin-2-ylmethyl)-3H-indol-2-one

C14H12N2O — CID 90893291

IUPAC1-(pyridin-2-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1Cc1ccccn1
InChIInChI=1S/C14H12N2O/c17-14-9-11-5-1-2-7-13(11)16(14)10-12-6-3-4-8-15-12/h1-8H,9-10H2
InChIKeyMGRZKDKBOIKIEW-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.17
Rot. Bonds2

About 1-(pyridin-2-ylmethyl)-3H-indol-2-one

1-(pyridin-2-ylmethyl)-3H-indol-2-one (PubChem CID 90893291) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3H-indol-2-one
PubChem CID90893291
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-(pyridin-2-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1Cc1ccccn1
InChIInChI=1S/C14H12N2O/c17-14-9-11-5-1-2-7-13(11)16(14)10-12-6-3-4-8-15-12/h1-8H,9-10H2
InChIKeyMGRZKDKBOIKIEW-UHFFFAOYSA-N
XLogP2.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423586
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3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
CID 162146956
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid
CID 82128968
6-amino-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423588
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 43473224
1-[[4-(methylamino)-2-pyridinyl]methyl]-3,4-dihydroquinolin-2-one
CID 79251878
(3S)-3'-(pyridin-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 124590759

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-3H-indol-2-one?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3H-indol-2-one (CID 90893291) is 1-(pyridin-2-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3H-indol-2-one is O=C1Cc2ccccc2N1Cc1ccccn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3H-indol-2-one?
The InChIKey is MGRZKDKBOIKIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-9-11-5-1-2-7-13(11)16(14)10-12-6-3-4-8-15-12/h1-8H,9-10H2.
What are the key properties of 1-(pyridin-2-ylmethyl)-3H-indol-2-one?
1-(pyridin-2-ylmethyl)-3H-indol-2-one has a molecular weight of 224.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 90893291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).