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

C12H14N2O2 — CID 11514051

IUPACspiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC1C2C12CCCC2
InChIInChI=1S/C12H14N2O2/c15-11(16)10-6-5-7-8(9(6)13-14-10)12(7)3-1-2-4-12/h7-8H,1-5H2,(H,13,14)(H,15,16)
InChIKeyCYZOEHLTHQQWSY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.94
Rot. Bonds1

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

spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid (PubChem CID 11514051) 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-3,1'-cyclopentane]-7-carboxylic acid.

Molecular Properties

Compound Namespiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid
PubChem CID11514051
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-3,1'-cyclopentane]-7-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC1C2C12CCCC2
InChIInChI=1S/C12H14N2O2/c15-11(16)10-6-5-7-8(9(6)13-14-10)12(7)3-1-2-4-12/h7-8H,1-5H2,(H,13,14)(H,15,16)
InChIKeyCYZOEHLTHQQWSY-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid?
The IUPAC name of spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid (CID 11514051) is spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid.
What is the SMILES notation for spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid?
The canonical SMILES for spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid is O=C(O)c1n[nH]c2c1CC1C2C12CCCC2.
What is the InChIKey of spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid?
The InChIKey is CYZOEHLTHQQWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11(16)10-6-5-7-8(9(6)13-14-10)12(7)3-1-2-4-12/h7-8H,1-5H2,(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-3,1'-cyclopentane]-7-carboxylic acid?
spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.94, 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-3,1'-cyclopentane]-7-carboxylic acid is sourced from PubChem (CID 11514051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).