spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid

C12H14N2O2 — CID 140506860

IUPACspiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid
SMILESO=C(O)C1CCCC12C1Cc3cn[nH]c3C12
InChIInChI=1S/C12H14N2O2/c15-11(16)7-2-1-3-12(7)8-4-6-5-13-14-10(6)9(8)12/h5,7-9H,1-4H2,(H,13,14)(H,15,16)
InChIKeyHCNSRINPOCOVCV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.55
Rot. Bonds1

About spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid

spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid (PubChem CID 140506860) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid.

Molecular Properties

Compound Namespiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid
PubChem CID140506860
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namespiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid
SMILESO=C(O)C1CCCC12C1Cc3cn[nH]c3C12
InChIInChI=1S/C12H14N2O2/c15-11(16)7-2-1-3-12(7)8-4-6-5-13-14-10(6)9(8)12/h5,7-9H,1-4H2,(H,13,14)(H,15,16)
InChIKeyHCNSRINPOCOVCV-UHFFFAOYSA-N
XLogP1.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
3-Ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
CID 69472155
3-Ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid
CID 69472156
Ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate
CID 69473339
Ethyl 3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate
CID 69473342
3-Ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide
CID 69475264
Spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-2-carboxylic acid
CID 69475372
Ethyl 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylate
CID 69476565
3-(2-Methylpropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxylic acid
CID 69476796
Ethyl 3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylate
CID 69653764
2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CID 135349075
2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CID 174999849

Frequently Asked Questions

What is the IUPAC name of spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid?
The IUPAC name of spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid (CID 140506860) is spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid.
What is the SMILES notation for spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid?
The canonical SMILES for spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid is O=C(O)C1CCCC12C1Cc3cn[nH]c3C12.
What is the InChIKey of spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid?
The InChIKey is HCNSRINPOCOVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11(16)7-2-1-3-12(7)8-4-6-5-13-14-10(6)9(8)12/h5,7-9H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid?
spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,2'-cyclopentane]-1'-carboxylic acid is sourced from PubChem (CID 140506860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).