2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one

C12H20N2O — CID 163163539

IUPAC2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one
SMILESO=C1CCNC2C1CNC1CCCCC12
InChIInChI=1S/C12H20N2O/c15-11-5-6-13-12-8-3-1-2-4-10(8)14-7-9(11)12/h8-10,12-14H,1-7H2
InChIKeyZVQSFJIUNWSBCF-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.70
Rot. Bonds

About 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one

2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one (PubChem CID 163163539) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one
PubChem CID163163539
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one
SMILESO=C1CCNC2C1CNC1CCCCC12
InChIInChI=1S/C12H20N2O/c15-11-5-6-13-12-8-3-1-2-4-10(8)14-7-9(11)12/h8-10,12-14H,1-7H2
InChIKeyZVQSFJIUNWSBCF-UHFFFAOYSA-N
XLogP0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one?
The IUPAC name of 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one (CID 163163539) is 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one.
What is the SMILES notation for 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one?
The canonical SMILES for 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one is O=C1CCNC2C1CNC1CCCCC12.
What is the InChIKey of 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one?
The InChIKey is ZVQSFJIUNWSBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-11-5-6-13-12-8-3-1-2-4-10(8)14-7-9(11)12/h8-10,12-14H,1-7H2.
What are the key properties of 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one?
2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one has a molecular weight of 208.30 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-4-one is sourced from PubChem (CID 163163539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).