4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen

C7H14N2O2 — CID 157231953

IUPAC4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen
SMILESO=C1COC2CCNCC2N1.[H][H]
InChIInChI=1S/C7H12N2O2.H2/c10-7-4-11-6-1-2-8-3-5(6)9-7;/h5-6,8H,1-4H2,(H,9,10);1H
InChIKeyAUFAQUBAHSFWOU-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.89
Rot. Bonds

About 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen

4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen (PubChem CID 157231953) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen.

Molecular Properties

Compound Name4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen
PubChem CID157231953
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen
SMILESO=C1COC2CCNCC2N1.[H][H]
InChIInChI=1S/C7H12N2O2.H2/c10-7-4-11-6-1-2-8-3-5(6)9-7;/h5-6,8H,1-4H2,(H,9,10);1H
InChIKeyAUFAQUBAHSFWOU-UHFFFAOYSA-N
XLogP-0.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(4aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 121288212
6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one
CID 135212645
6-piperidin-3-ylmorpholin-3-one
CID 115067880
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
CID 82416611
(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-2-one;hydrochloride
CID 139034640
(4aR,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carbaldehyde
CID 156649005
(4aS,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;hydrochloride
CID 126969598
2-(trifluoromethyl)-1,3-oxazolidin-4-one
CID 154179037
(2S)-2-(trichloromethyl)-1,3-oxazolidin-4-one
CID 95562008
(10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one
CID 135107281
(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[3,4-d][1,3]oxazin-2-one
CID 124674375
(4aR,8aS)-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 146381017

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen?
The IUPAC name of 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen (CID 157231953) is 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen.
What is the SMILES notation for 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen?
The canonical SMILES for 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen is O=C1COC2CCNCC2N1.[H][H].
What is the InChIKey of 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen?
The InChIKey is AUFAQUBAHSFWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.H2/c10-7-4-11-6-1-2-8-3-5(6)9-7;/h5-6,8H,1-4H2,(H,9,10);1H.
What are the key properties of 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen?
4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen has a molecular weight of 158.20 g/mol, XLogP of -0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen is sourced from PubChem (CID 157231953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).