6,8a-dihydro-4aH-1,6-naphthyridin-5-one

C8H8N2O — CID 134912740

IUPAC6,8a-dihydro-4aH-1,6-naphthyridin-5-one
SMILESO=C1NC=CC2N=CC=CC12
InChIInChI=1S/C8H8N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h1-7H,(H,10,11)
InChIKeyKMJSPGILSNVXQW-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.26
Rot. Bonds

About 6,8a-dihydro-4aH-1,6-naphthyridin-5-one

6,8a-dihydro-4aH-1,6-naphthyridin-5-one (PubChem CID 134912740) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6,8a-dihydro-4aH-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6,8a-dihydro-4aH-1,6-naphthyridin-5-one
PubChem CID134912740
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6,8a-dihydro-4aH-1,6-naphthyridin-5-one
SMILESO=C1NC=CC2N=CC=CC12
InChIInChI=1S/C8H8N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h1-7H,(H,10,11)
InChIKeyKMJSPGILSNVXQW-UHFFFAOYSA-N
XLogP0.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one
CID 123271470
6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one
CID 129257562
4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one
CID 144977444
(8aR)-7-methyl-6,8a-dihydro-4aH-1,6-naphthyridin-5-one
CID 164042030

Frequently Asked Questions

What is the IUPAC name of 6,8a-dihydro-4aH-1,6-naphthyridin-5-one?
The IUPAC name of 6,8a-dihydro-4aH-1,6-naphthyridin-5-one (CID 134912740) is 6,8a-dihydro-4aH-1,6-naphthyridin-5-one.
What is the SMILES notation for 6,8a-dihydro-4aH-1,6-naphthyridin-5-one?
The canonical SMILES for 6,8a-dihydro-4aH-1,6-naphthyridin-5-one is O=C1NC=CC2N=CC=CC12.
What is the InChIKey of 6,8a-dihydro-4aH-1,6-naphthyridin-5-one?
The InChIKey is KMJSPGILSNVXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h1-7H,(H,10,11).
What are the key properties of 6,8a-dihydro-4aH-1,6-naphthyridin-5-one?
6,8a-dihydro-4aH-1,6-naphthyridin-5-one has a molecular weight of 148.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8a-dihydro-4aH-1,6-naphthyridin-5-one is sourced from PubChem (CID 134912740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).