2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine

C10H9N3 — CID 155973962

IUPAC2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine
SMILESc1cnc2nc3c(cc2c1)NCC3
InChIInChI=1S/C10H9N3/c1-2-7-6-9-8(3-5-11-9)13-10(7)12-4-1/h1-2,4,6,11H,3,5H2
InChIKeyPBHBTEKXMZUEOL-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.60
Rot. Bonds

About 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine

2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine (PubChem CID 155973962) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine
PubChem CID155973962
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine
SMILESc1cnc2nc3c(cc2c1)NCC3
InChIInChI=1S/C10H9N3/c1-2-7-6-9-8(3-5-11-9)13-10(7)12-4-1/h1-2,4,6,11H,3,5H2
InChIKeyPBHBTEKXMZUEOL-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine (CID 155973962) is 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine is c1cnc2nc3c(cc2c1)NCC3.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine?
The InChIKey is PBHBTEKXMZUEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-7-6-9-8(3-5-11-9)13-10(7)12-4-1/h1-2,4,6,11H,3,5H2.
What are the key properties of 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine?
2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine has a molecular weight of 171.20 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine is sourced from PubChem (CID 155973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).