4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine

C12H18N2 — CID 129262052

IUPAC4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine
SMILESCN1CCCC2c3cccn3CCC21
InChIInChI=1S/C12H18N2/c1-13-7-2-4-10-11(13)6-9-14-8-3-5-12(10)14/h3,5,8,10-11H,2,4,6-7,9H2,1H3
InChIKeyXIPNZGZGULASPM-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.07
Rot. Bonds

About 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine

4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine (PubChem CID 129262052) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine
PubChem CID129262052
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine
SMILESCN1CCCC2c3cccn3CCC21
InChIInChI=1S/C12H18N2/c1-13-7-2-4-10-11(13)6-9-14-8-3-5-12(10)14/h3,5,8,10-11H,2,4,6-7,9H2,1H3
InChIKeyXIPNZGZGULASPM-UHFFFAOYSA-N
XLogP2.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine?
The IUPAC name of 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine (CID 129262052) is 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine is CN1CCCC2c3cccn3CCC21.
What is the InChIKey of 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine?
The InChIKey is XIPNZGZGULASPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-7-2-4-10-11(13)6-9-14-8-3-5-12(10)14/h3,5,8,10-11H,2,4,6-7,9H2,1H3.
What are the key properties of 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine?
4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine has a molecular weight of 190.29 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4a,5,6,10b-hexahydro-1H-pyrrolo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 129262052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).