11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid

C11H10N2O3 — CID 96610254

IUPAC11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid
SMILESCc1cc2c([nH]1)CNc1cc(C(=O)O)oc1-2
InChIInChI=1S/C11H10N2O3/c1-5-2-6-8(13-5)4-12-7-3-9(11(14)15)16-10(6)7/h2-3,12-13H,4H2,1H3,(H,14,15)
InChIKeyHPNUVSHCYVILIP-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.21
Rot. Bonds1

About 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid

11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid (PubChem CID 96610254) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid.

Molecular Properties

Compound Name11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid
PubChem CID96610254
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid
SMILESCc1cc2c([nH]1)CNc1cc(C(=O)O)oc1-2
InChIInChI=1S/C11H10N2O3/c1-5-2-6-8(13-5)4-12-7-3-9(11(14)15)16-10(6)7/h2-3,12-13H,4H2,1H3,(H,14,15)
InChIKeyHPNUVSHCYVILIP-UHFFFAOYSA-N
XLogP2.21
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid with MolForge

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Related Compounds

3-oxa-7,12-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene-4-carboxylic acid
CID 96618736
5,6-dihydro-4H-furo[2,3-e]indole-2-carboxylic acid
CID 96619137
2-cyclopropyl-1,2,3,4-tetrahydrofuro[2,3-b]pyrazine-6-carboxylic acid
CID 82377027
4,9-dioxobenzo[f][1]benzofuran-2-carboxylic acid
CID 58260130
4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 82376004
5-formyl-4-methylfuran-2-carboxylic acid
CID 83681206
5-methyl-4-sulfanylfuran-2-carboxylic acid
CID 89383113
4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid
CID 165461215
5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid
CID 142924551
4-chloro-5-methylfuran-2-carboxylic acid
CID 81446002
3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
CID 127020386
8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid
CID 82393897

Frequently Asked Questions

What is the IUPAC name of 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid?
The IUPAC name of 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid (CID 96610254) is 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid.
What is the SMILES notation for 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid?
The canonical SMILES for 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid is Cc1cc2c([nH]1)CNc1cc(C(=O)O)oc1-2.
What is the InChIKey of 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid?
The InChIKey is HPNUVSHCYVILIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-5-2-6-8(13-5)4-12-7-3-9(11(14)15)16-10(6)7/h2-3,12-13H,4H2,1H3,(H,14,15).
What are the key properties of 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid?
11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-3-oxa-7,10-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraene-4-carboxylic acid is sourced from PubChem (CID 96610254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).