11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C14H11N5O2 — CID 66496100

IUPAC11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncnn2c2ccn(Cc3ccco3)c(=O)c12
InChIInChI=1S/C14H11N5O2/c1-9-12-11(19-14(17-9)15-8-16-19)4-5-18(13(12)20)7-10-3-2-6-21-10/h2-6,8H,7H2,1H3
InChIKeyNIPITPWFDOXAJK-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.39
Rot. Bonds2

About 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 66496100) has the molecular formula C14H11N5O2 and a molecular weight of 281.27 g/mol. Its IUPAC name is 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID66496100
Molecular FormulaC14H11N5O2
Molecular Weight281.27 g/mol
Exact Mass281.09
IUPAC Name11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2ncnn2c2ccn(Cc3ccco3)c(=O)c12
InChIInChI=1S/C14H11N5O2/c1-9-12-11(19-14(17-9)15-8-16-19)4-5-18(13(12)20)7-10-3-2-6-21-10/h2-6,8H,7H2,1H3
InChIKeyNIPITPWFDOXAJK-UHFFFAOYSA-N
XLogP1.39
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Related Compounds

11-[4-chloro-3-(trifluoromethyl)phenyl]-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496374
1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82113564
3-(furan-2-ylmethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 39103330
1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,6-naphthyridin-4-one
CID 5304944
(3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 7407416
3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one
CID 46339897
[1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate
CID 67751033
6-(furan-2-ylmethyl)-2-methyl-5-oxo-N-(3-phenylpropyl)-1,6-naphthyridine-3-carboxamide
CID 20946822
N-[(4-bromophenyl)methyl]-6-(furan-2-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339903
1-(furan-2-ylmethyl)-5-methylimidazole
CID 116798912
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9078398
furan-2-yl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 646747

Frequently Asked Questions

What is the IUPAC name of 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 66496100) is 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cc1nc2ncnn2c2ccn(Cc3ccco3)c(=O)c12.
What is the InChIKey of 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is NIPITPWFDOXAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c1-9-12-11(19-14(17-9)15-8-16-19)4-5-18(13(12)20)7-10-3-2-6-21-10/h2-6,8H,7H2,1H3.
What are the key properties of 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 281.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(furan-2-ylmethyl)-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 66496100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).