ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline

C13H15N — CID 143041272

IUPACethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline
SMILESC=C.CC1=CC2=CC=CC3CC23C=N1
InChIInChI=1S/C11H11N.C2H4/c1-8-5-9-3-2-4-10-6-11(9,10)7-12-8;1-2/h2-5,7,10H,6H2,1H3;1-2H2
InChIKeyUVBBGXLBPLGAPO-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.28
Rot. Bonds

About ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline

ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline (PubChem CID 143041272) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline.

Molecular Properties

Compound Nameethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline
PubChem CID143041272
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Nameethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline
SMILESC=C.CC1=CC2=CC=CC3CC23C=N1
InChIInChI=1S/C11H11N.C2H4/c1-8-5-9-3-2-4-10-6-11(9,10)7-12-8;1-2/h2-5,7,10H,6H2,1H3;1-2H2
InChIKeyUVBBGXLBPLGAPO-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-1,4-dimethyl-4,4a-dihydroisoquinoline
CID 68330512
11-Azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene
CID 87271350
6,6a-Dimethyl-5a,6-dihydrocyclopropa[g]quinoline
CID 123747638
3-Ethenyl-6-methyl-4a,5-dihydroisoquinoline
CID 123867208
Spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]
CID 126521759
(2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene
CID 126607025
N-[(4Z,6Z)-8-(1,2-dimethylcyclopropyl)-3-methylideneocta-1,4,6-trien-2-yl]ethanimine
CID 129035115
3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine
CID 129309696
7a,11a-dihydro-5H-azepino[4,5-c]isoquinoline
CID 131966646
2,6,8-Trimethyl-5-azaspiro[2.6]nona-4,6,8-triene
CID 135192356
N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine
CID 138509412
7a,8-Dihydrocyclopropa[i]isoquinoline;ethane
CID 142112818

Frequently Asked Questions

What is the IUPAC name of ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline?
The IUPAC name of ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline (CID 143041272) is ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline.
What is the SMILES notation for ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline?
The canonical SMILES for ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline is C=C.CC1=CC2=CC=CC3CC23C=N1.
What is the InChIKey of ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline?
The InChIKey is UVBBGXLBPLGAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H4/c1-8-5-9-3-2-4-10-6-11(9,10)7-12-8;1-2/h2-5,7,10H,6H2,1H3;1-2H2.
What are the key properties of ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline?
ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methyl-7a,8-dihydrocyclopropa[i]isoquinoline is sourced from PubChem (CID 143041272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).