2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine

C11H12N2 — CID 118561762

IUPAC2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine
SMILESC1=CC2=NC3CCNCC3=CC2=C1
InChIInChI=1S/C11H12N2/c1-2-8-6-9-7-12-5-4-11(9)13-10(8)3-1/h1-3,6,11-12H,4-5,7H2
InChIKeyGPJSMYVFXWLCMN-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.23
Rot. Bonds

About 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine

2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine (PubChem CID 118561762) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine.

Molecular Properties

Compound Name2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine
PubChem CID118561762
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine
SMILESC1=CC2=NC3CCNCC3=CC2=C1
InChIInChI=1S/C11H12N2/c1-2-8-6-9-7-12-5-4-11(9)13-10(8)3-1/h1-3,6,11-12H,4-5,7H2
InChIKeyGPJSMYVFXWLCMN-UHFFFAOYSA-N
XLogP1.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine?
The IUPAC name of 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine (CID 118561762) is 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine.
What is the SMILES notation for 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine?
The canonical SMILES for 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine is C1=CC2=NC3CCNCC3=CC2=C1.
What is the InChIKey of 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine?
The InChIKey is GPJSMYVFXWLCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-8-6-9-7-12-5-4-11(9)13-10(8)3-1/h1-3,6,11-12H,4-5,7H2.
What are the key properties of 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine?
2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine has a molecular weight of 172.23 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a-tetrahydro-1H-cyclopenta[b][1,6]naphthyridine is sourced from PubChem (CID 118561762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).