1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one

C17H12N2O — CID 15023400

IUPAC1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1cccnc1
InChIInChI=1S/C17H12N2O/c20-17-14-7-1-5-13-6-2-8-15(16(13)14)19(17)11-12-4-3-9-18-10-12/h1-10H,11H2
InChIKeyWWBGYAGPJDIBFP-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.40
Rot. Bonds2

About 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one

1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one (PubChem CID 15023400) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one
PubChem CID15023400
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1cccnc1
InChIInChI=1S/C17H12N2O/c20-17-14-7-1-5-13-6-2-8-15(16(13)14)19(17)11-12-4-3-9-18-10-12/h1-10H,11H2
InChIKeyWWBGYAGPJDIBFP-UHFFFAOYSA-N
XLogP3.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
CID 63459019
1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
CID 65491106
1-[(2-chloro-3-pyridinyl)methyl]benzo[cd]indol-2-one
CID 62471682
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-[(5-bromo-2-pyridinyl)methyl]benzo[cd]indol-2-one
CID 104809117
1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one
CID 79244292
1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
CID 24692767
4-nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
CID 11000528
1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]benzo[cd]indol-2-one
CID 51093406
1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one
CID 116619012
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium
CID 9169350

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one (CID 15023400) is 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one?
The InChIKey is WWBGYAGPJDIBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-17-14-7-1-5-13-6-2-8-15(16(13)14)19(17)11-12-4-3-9-18-10-12/h1-10H,11H2.
What are the key properties of 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one?
1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one has a molecular weight of 260.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one is sourced from PubChem (CID 15023400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).