ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene

C14H24N2O — CID 142373538

IUPACethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
SMILESC1=CCC=C2C(=C1)OCC1CNCCN21.CC.[H][H]
InChIInChI=1S/C12H16N2O.C2H6.H2/c1-2-4-11-12(5-3-1)15-9-10-8-13-6-7-14(10)11;1-2;/h1,3-5,10,13H,2,6-9H2;1-2H3;1H
InChIKeyYNRVHYLYUUATJE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.29
Rot. Bonds

About ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene

ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene (PubChem CID 142373538) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene.

Molecular Properties

Compound Nameethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
PubChem CID142373538
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
SMILESC1=CCC=C2C(=C1)OCC1CNCCN21.CC.[H][H]
InChIInChI=1S/C12H16N2O.C2H6.H2/c1-2-4-11-12(5-3-1)15-9-10-8-13-6-7-14(10)11;1-2;/h1,3-5,10,13H,2,6-9H2;1-2H3;1H
InChIKeyYNRVHYLYUUATJE-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene with MolForge

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Related Compounds

ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202705
(3E,4E)-3-ethylidene-4-[(E)-3-methylpent-2-enylidene]-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 145348570
4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155016683
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155694984
(3E,4E)-3,4-bis(prop-2-enylidene)-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 169898183
1-(4-ethyl-7-iodo-3,6-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)-N-methylmethanamine
CID 169998836
9-Oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
CID 142373539
(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202706
(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155694985
(1E)-1-(3-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-yl)buta-1,3-dien-2-amine
CID 155695019

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene?
The IUPAC name of ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene (CID 142373538) is ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene.
What is the SMILES notation for ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene?
The canonical SMILES for ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene is C1=CCC=C2C(=C1)OCC1CNCCN21.CC.[H][H].
What is the InChIKey of ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene?
The InChIKey is YNRVHYLYUUATJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C2H6.H2/c1-2-4-11-12(5-3-1)15-9-10-8-13-6-7-14(10)11;1-2;/h1,3-5,10,13H,2,6-9H2;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene?
ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene has a molecular weight of 236.36 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene is sourced from PubChem (CID 142373538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).