5-benzyl-2-methylfuro[3,2-c]pyridin-4-one

C15H13NO2 — CID 118027012

IUPAC5-benzyl-2-methylfuro[3,2-c]pyridin-4-one
SMILESCc1cc2c(=O)n(Cc3ccccc3)ccc2o1
InChIInChI=1S/C15H13NO2/c1-11-9-13-14(18-11)7-8-16(15(13)17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyYHHKIDALVWAJSP-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.95
Rot. Bonds2

About 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one

5-benzyl-2-methylfuro[3,2-c]pyridin-4-one (PubChem CID 118027012) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-benzyl-2-methylfuro[3,2-c]pyridin-4-one
PubChem CID118027012
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name5-benzyl-2-methylfuro[3,2-c]pyridin-4-one
SMILESCc1cc2c(=O)n(Cc3ccccc3)ccc2o1
InChIInChI=1S/C15H13NO2/c1-11-9-13-14(18-11)7-8-16(15(13)17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyYHHKIDALVWAJSP-UHFFFAOYSA-N
XLogP2.95
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Furmecyclox
CID 43359
4-(2,5-Dimethyl-3-furoyl)morpholine
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(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 2813437
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
CID 18108187
N-benzyl-2-methylfuran-3-carboxamide
CID 690372
1-(Diphenylmethyl)-4-(2-methyl-3-furoyl)piperazine
CID 1293145
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
CID 2932803
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
Cyclafuramid
CID 93178

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one (CID 118027012) is 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one is Cc1cc2c(=O)n(Cc3ccccc3)ccc2o1.
What is the InChIKey of 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one?
The InChIKey is YHHKIDALVWAJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-9-13-14(18-11)7-8-16(15(13)17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one?
5-benzyl-2-methylfuro[3,2-c]pyridin-4-one has a molecular weight of 239.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 118027012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).