ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen

C15H22N2 — CID 176523076

IUPACethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen
SMILESC=CC1=C(/C=C\C)NC2=C(C=C=C=C2)N1.CC.[H][H].[H][H]
InChIInChI=1S/C13H12N2.C2H6.2H2/c1-3-7-11-10(4-2)14-12-8-5-6-9-13(12)15-11;1-2;;/h3-4,7-9,14-15H,2H2,1H3;1-2H3;2*1H/b7-3-;;;
InChIKeyLLQBXZLEACVHKS-RZBDIMBASA-N
MW230.35 g/mol
LogP3.76
Rot. Bonds2

About ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen

ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen (PubChem CID 176523076) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen
PubChem CID176523076
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen
SMILESC=CC1=C(/C=C\C)NC2=C(C=C=C=C2)N1.CC.[H][H].[H][H]
InChIInChI=1S/C13H12N2.C2H6.2H2/c1-3-7-11-10(4-2)14-12-8-5-6-9-13(12)15-11;1-2;;/h3-4,7-9,14-15H,2H2,1H3;1-2H3;2*1H/b7-3-;;;
InChIKeyLLQBXZLEACVHKS-RZBDIMBASA-N
XLogP3.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
7-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-5,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine
CID 143188644
1-ethenyl-3,3,4,4,5,5-hexafluoro-2-[(Z)-prop-1-enyl]cyclopentene
CID 142500496
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
CID 134485479
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 143089748
ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
CID 143453691
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435
4-ethenyl-2,2,5-trimethyl-1,3-dihydroimidazole
CID 163964615
(5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine
CID 146245988
4,5-bis(ethenyl)-1H-pyrazole;ethane;molecular hydrogen
CID 142810838
2-ethenyl-4-prop-1-enyl-1H-pyrrole
CID 123523281

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen?
The IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen (CID 176523076) is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen.
What is the SMILES notation for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen?
The canonical SMILES for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen is C=CC1=C(/C=C\C)NC2=C(C=C=C=C2)N1.CC.[H][H].[H][H].
What is the InChIKey of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen?
The InChIKey is LLQBXZLEACVHKS-RZBDIMBASA-N. The full InChI is InChI=1S/C13H12N2.C2H6.2H2/c1-3-7-11-10(4-2)14-12-8-5-6-9-13(12)15-11;1-2;;/h3-4,7-9,14-15H,2H2,1H3;1-2H3;2*1H/b7-3-;;;.
What are the key properties of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen?
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen has a molecular weight of 230.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen is sourced from PubChem (CID 176523076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).