ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline

C12H16N2 — CID 143408640

IUPACethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline
SMILESCC.CC1=NC2=CC=CC3CC23N=C1
InChIInChI=1S/C10H10N2.C2H6/c1-7-6-11-10-5-8(10)3-2-4-9(10)12-7;1-2/h2-4,6,8H,5H2,1H3;1-2H3
InChIKeyCDXIITOJMVWMNF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.77
Rot. Bonds

About ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline

ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline (PubChem CID 143408640) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline.

Molecular Properties

Compound Nameethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline
PubChem CID143408640
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Nameethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline
SMILESCC.CC1=NC2=CC=CC3CC23N=C1
InChIInChI=1S/C10H10N2.C2H6/c1-7-6-11-10-5-8(10)3-2-4-9(10)12-7;1-2/h2-4,6,8H,5H2,1H3;1-2H3
InChIKeyCDXIITOJMVWMNF-UHFFFAOYSA-N
XLogP2.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene
CID 123351395
2-(2-Methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 142271471
6,6a-dihydro-5aH-cyclopropa[g]quinoxaline;ethane
CID 143157892
6,6a-dihydro-5aH-cyclopropa[g]quinoline;ethane
CID 144851891
2,9-Diazatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
CID 144989126
Ethane;6,12,15-triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
CID 145322438
ethane;4-methyl-6,6a-dihydro-5aH-cyclopropa[g]quinoline
CID 155731561
6,7-Dimethyl-2-propyl-6,7-dihydroquinoxaline
CID 156775506
3,4a,5-trimethyl-5H-quinoxaline
CID 163480902
3-Methyl-7a,8-dihydrocyclopropa[e]quinoxaline
CID 143408641
6,12,15-Triazatetracyclo[9.4.0.01,3.05,10]pentadeca-4,6,8,10,12,14-hexaene
CID 145322439

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline?
The IUPAC name of ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline (CID 143408640) is ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline.
What is the SMILES notation for ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline?
The canonical SMILES for ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline is CC.CC1=NC2=CC=CC3CC23N=C1.
What is the InChIKey of ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline?
The InChIKey is CDXIITOJMVWMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C2H6/c1-7-6-11-10-5-8(10)3-2-4-9(10)12-7;1-2/h2-4,6,8H,5H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline?
ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline has a molecular weight of 188.27 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline is sourced from PubChem (CID 143408640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).