spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid

C11H12N2O2 — CID 139320972

IUPACspiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)C1(CC1)NCC2
InChIInChI=1S/C11H12N2O2/c14-10(15)9-5-7-1-4-13-11(2-3-11)8(7)6-12-9/h5-6,13H,1-4H2,(H,14,15)
InChIKeyFRZLHYPZVRVOLF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.91
Rot. Bonds1

About spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid

spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid (PubChem CID 139320972) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid.

Molecular Properties

Compound Namespiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid
PubChem CID139320972
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namespiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)C1(CC1)NCC2
InChIInChI=1S/C11H12N2O2/c14-10(15)9-5-7-1-4-13-11(2-3-11)8(7)6-12-9/h5-6,13H,1-4H2,(H,14,15)
InChIKeyFRZLHYPZVRVOLF-UHFFFAOYSA-N
XLogP0.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid?
The IUPAC name of spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid (CID 139320972) is spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid.
What is the SMILES notation for spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid?
The canonical SMILES for spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid is O=C(O)c1cc2c(cn1)C1(CC1)NCC2.
What is the InChIKey of spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid?
The InChIKey is FRZLHYPZVRVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10(15)9-5-7-1-4-13-11(2-3-11)8(7)6-12-9/h5-6,13H,1-4H2,(H,14,15).
What are the key properties of spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid?
spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-5H-2,7-naphthyridine-8,1'-cyclopropane]-3-carboxylic acid is sourced from PubChem (CID 139320972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).