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

C11H12N2 — CID 177099875

IUPAC2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine
SMILESC1=CC2N=CC3=C(NCCC3)C2=C1
InChIInChI=1S/C11H12N2/c1-4-9-10(5-1)13-7-8-3-2-6-12-11(8)9/h1,4-5,7,10,12H,2-3,6H2
InChIKeyXZVFTPZTLUDGCT-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.57
Rot. Bonds

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

2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine (PubChem CID 177099875) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine.

Molecular Properties

Compound Name2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine
PubChem CID177099875
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine
SMILESC1=CC2N=CC3=C(NCCC3)C2=C1
InChIInChI=1S/C11H12N2/c1-4-9-10(5-1)13-7-8-3-2-6-12-11(8)9/h1,4-5,7,10,12H,2-3,6H2
InChIKeyXZVFTPZTLUDGCT-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene
CID 130136162
2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridin-9-ol
CID 141122290
1,2,3,4,4a,5-hexahydroquinolin-5-amine
CID 154392905
7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole
CID 171502429
ethene;pyrrolidin-2-one
CID 18949514
ethene;bis(pyrrolidin-2-one)
CID 67822125
2,3,4,5,6,7-hexahydro-1H-quinolin-8-one
CID 13268285
ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine
CID 145121568
1,2,3,4,6,7-hexahydroquinoline;methane
CID 144640443
5-iodo-1,2,3,5-tetrahydroquinoline
CID 171774591
8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene
CID 145352283
7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 141108587

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine?
The IUPAC name of 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine (CID 177099875) is 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine.
What is the SMILES notation for 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine?
The canonical SMILES for 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine is C1=CC2N=CC3=C(NCCC3)C2=C1.
What is the InChIKey of 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine?
The InChIKey is XZVFTPZTLUDGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-4-9-10(5-1)13-7-8-3-2-6-12-11(8)9/h1,4-5,7,10,12H,2-3,6H2.
What are the key properties of 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine?
2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine has a molecular weight of 172.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6a-tetrahydro-1H-cyclopenta[h][1,6]naphthyridine is sourced from PubChem (CID 177099875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).