molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine

C12H21NO — CID 142373558

IUPACmolecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine
SMILESC1=CCC=C2OCCNC2=C1.CCC.[H][H]
InChIInChI=1S/C9H11NO.C3H8.H2/c1-2-4-8-9(5-3-1)11-7-6-10-8;1-3-2;/h1-2,4-5,10H,3,6-7H2;3H2,1-2H3;1H
InChIKeyFRZNEMPCXYSDFR-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.00
Rot. Bonds

About molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine

molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine (PubChem CID 142373558) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Namemolecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine
PubChem CID142373558
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namemolecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine
SMILESC1=CCC=C2OCCNC2=C1.CCC.[H][H]
InChIInChI=1S/C9H11NO.C3H8.H2/c1-2-4-8-9(5-3-1)11-7-6-10-8;1-3-2;/h1-2,4-5,10H,3,6-7H2;3H2,1-2H3;1H
InChIKeyFRZNEMPCXYSDFR-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
CID 135193067
(3Z)-3-(1-fluoro-2-methylprop-2-enylidene)-2-methylidenemorpholine
CID 144959959
5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
CID 157996314
3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 57902506
6-Ethenyl-3-ethoxy-2-methyl-1,2-dihydropyridine
CID 70281155
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
14-Methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
CID 89139683
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 89334732
4-[(6-Methyl-1,2-dihydropyridin-3-yl)oxy]cyclohexa-2,4-dien-1-amine
CID 89639811
(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
CID 130336935
2-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 130340457

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine?
The IUPAC name of molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine (CID 142373558) is molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine is C1=CCC=C2OCCNC2=C1.CCC.[H][H].
What is the InChIKey of molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine?
The InChIKey is FRZNEMPCXYSDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C3H8.H2/c1-2-4-8-9(5-3-1)11-7-6-10-8;1-3-2;/h1-2,4-5,10H,3,6-7H2;3H2,1-2H3;1H.
What are the key properties of molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine?
molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine has a molecular weight of 195.31 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;propane;2,3,4,8-tetrahydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 142373558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).