(6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one

C12H14N2O — CID 71393609

IUPAC(6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one
SMILESO=C1Nc2cnccc2[C@H]2CCCC[C@@H]12
InChIInChI=1S/C12H14N2O/c15-12-10-4-2-1-3-8(10)9-5-6-13-7-11(9)14-12/h5-8,10H,1-4H2,(H,14,15)/t8-,10-/m1/s1
InChIKeyOZCVANJNLNNJAA-PSASIEDQSA-N
MW202.26 g/mol
LogP2.31
Rot. Bonds

About (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one

(6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one (PubChem CID 71393609) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name(6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one
PubChem CID71393609
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one
SMILESO=C1Nc2cnccc2[C@H]2CCCC[C@@H]12
InChIInChI=1S/C12H14N2O/c15-12-10-4-2-1-3-8(10)9-5-6-13-7-11(9)14-12/h5-8,10H,1-4H2,(H,14,15)/t8-,10-/m1/s1
InChIKeyOZCVANJNLNNJAA-PSASIEDQSA-N
XLogP2.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one?
The IUPAC name of (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one (CID 71393609) is (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one is O=C1Nc2cnccc2[C@H]2CCCC[C@@H]12.
What is the InChIKey of (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one?
The InChIKey is OZCVANJNLNNJAA-PSASIEDQSA-N. The full InChI is InChI=1S/C12H14N2O/c15-12-10-4-2-1-3-8(10)9-5-6-13-7-11(9)14-12/h5-8,10H,1-4H2,(H,14,15)/t8-,10-/m1/s1.
What are the key properties of (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one?
(6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one has a molecular weight of 202.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aS)-6a,7,8,9,10,10a-hexahydro-5H-benzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 71393609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).