(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one

C8H14N2O — CID 82416611

IUPAC(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
SMILESO=C1CC[C@@H]2CCNC[C@H]2N1
InChIInChI=1S/C8H14N2O/c11-8-2-1-6-3-4-9-5-7(6)10-8/h6-7,9H,1-5H2,(H,10,11)/t6-,7-/m1/s1
InChIKeyPENQRHZZBAMZLK-RNFRBKRXSA-N
MW154.21 g/mol
LogP-0.13
Rot. Bonds

About (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one

(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one (PubChem CID 82416611) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
PubChem CID82416611
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
SMILESO=C1CC[C@@H]2CCNC[C@H]2N1
InChIInChI=1S/C8H14N2O/c11-8-2-1-6-3-4-9-5-7(6)10-8/h6-7,9H,1-5H2,(H,10,11)/t6-,7-/m1/s1
InChIKeyPENQRHZZBAMZLK-RNFRBKRXSA-N
XLogP-0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one with MolForge

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Related Compounds

(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-2-one;hydrochloride
CID 139034640
5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
CID 42609658
(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one
CID 54029352
(4aR,9aS)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-2-one
CID 18639715
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
(5S)-5-cyclopentylpyrrolidin-2-one
CID 15156533
(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[3,4-d][1,3]oxazin-2-one
CID 124674375
2,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridin-3-one
CID 105430139
3,4,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyridin-2-one;molecular hydrogen
CID 144857343
5-amino-6-piperidin-4-ylpiperidin-2-one
CID 119031320
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
CID 143810009
5-(4-chlorocyclohexyl)pyrrolidin-2-one
CID 122491329

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one?
The IUPAC name of (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one (CID 82416611) is (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one?
The canonical SMILES for (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one is O=C1CC[C@@H]2CCNC[C@H]2N1.
What is the InChIKey of (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one?
The InChIKey is PENQRHZZBAMZLK-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-2-1-6-3-4-9-5-7(6)10-8/h6-7,9H,1-5H2,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one?
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one has a molecular weight of 154.21 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 82416611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).