1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine

C11H20N2 — CID 112714709

IUPAC1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine
SMILESC1CNC2CC3CCCN3CC2C1
InChIInChI=1S/C11H20N2/c1-3-9-8-13-6-2-4-10(13)7-11(9)12-5-1/h9-12H,1-8H2
InChIKeyFIAJRWANMSGSJJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.22
Rot. Bonds

About 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine

1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine (PubChem CID 112714709) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine.

Molecular Properties

Compound Name1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine
PubChem CID112714709
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine
SMILESC1CNC2CC3CCCN3CC2C1
InChIInChI=1S/C11H20N2/c1-3-9-8-13-6-2-4-10(13)7-11(9)12-5-1/h9-12H,1-8H2
InChIKeyFIAJRWANMSGSJJ-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine?
The IUPAC name of 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine (CID 112714709) is 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine.
What is the SMILES notation for 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine?
The canonical SMILES for 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine is C1CNC2CC3CCCN3CC2C1.
What is the InChIKey of 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine?
The InChIKey is FIAJRWANMSGSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-9-8-13-6-2-4-10(13)7-11(9)12-5-1/h9-12H,1-8H2.
What are the key properties of 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine?
1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine has a molecular weight of 180.29 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine is sourced from PubChem (CID 112714709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).