2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine

C11H14N2O — CID 156787158

IUPAC2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine
SMILESc1cnc2c(c1)C1CCOCC1CN2
InChIInChI=1S/C11H14N2O/c1-2-10-9-3-5-14-7-8(9)6-13-11(10)12-4-1/h1-2,4,8-9H,3,5-7H2,(H,12,13)
InChIKeyKTPMPXQYZOJAHT-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.63
Rot. Bonds

About 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine

2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine (PubChem CID 156787158) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine.

Molecular Properties

Compound Name2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine
PubChem CID156787158
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine
SMILESc1cnc2c(c1)C1CCOCC1CN2
InChIInChI=1S/C11H14N2O/c1-2-10-9-3-5-14-7-8(9)6-13-11(10)12-4-1/h1-2,4,8-9H,3,5-7H2,(H,12,13)
InChIKeyKTPMPXQYZOJAHT-UHFFFAOYSA-N
XLogP1.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine?
The IUPAC name of 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine (CID 156787158) is 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine.
What is the SMILES notation for 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine?
The canonical SMILES for 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine is c1cnc2c(c1)C1CCOCC1CN2.
What is the InChIKey of 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine?
The InChIKey is KTPMPXQYZOJAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-10-9-3-5-14-7-8(9)6-13-11(10)12-4-1/h1-2,4,8-9H,3,5-7H2,(H,12,13).
What are the key properties of 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine?
2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine has a molecular weight of 190.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine is sourced from PubChem (CID 156787158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).