2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane

C23H35N — CID 142947055

IUPAC2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane
SMILESC/C=C1/CCC(C)/C1=C/C(C)C.C=CN1CCC2=CCCC=C2C1
InChIInChI=1S/C12H20.C11H15N/c1-5-11-7-6-10(4)12(11)8-9(2)3;1-2-12-8-7-10-5-3-4-6-11(10)9-12/h5,8-10H,6-7H2,1-4H3;2,5-6H,1,3-4,7-9H2/b11-5-,12-8-;
InChIKeyUTEQYODZSAILQG-QFKUQUOFSA-N
MW325.54 g/mol
LogP6.43
Rot. Bonds2

About 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane

2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane (PubChem CID 142947055) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane.

Molecular Properties

Compound Name2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane
PubChem CID142947055
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane
SMILESC/C=C1/CCC(C)/C1=C/C(C)C.C=CN1CCC2=CCCC=C2C1
InChIInChI=1S/C12H20.C11H15N/c1-5-11-7-6-10(4)12(11)8-9(2)3;1-2-12-8-7-10-5-3-4-6-11(10)9-12/h5,8-10H,6-7H2,1-4H3;2,5-6H,1,3-4,7-9H2/b11-5-,12-8-;
InChIKeyUTEQYODZSAILQG-QFKUQUOFSA-N
XLogP6.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane with MolForge

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Related Compounds

N-allyltetrahydroquinoline
CID 69120580
N-butyltetrahydroquinoline
CID 70628816
1-methyl-4-(1-methylpiperidin-4-yl)-2H-pyridine
CID 20384780
1-ethyl-4-(1-ethylpiperidin-4-yl)-2H-pyridine
CID 21321902
11-Pentyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9-triene
CID 67873249
1-Methylidene-2-pentyl-3,4,4a,5-tetrahydroisoquinoline
CID 67896966
1-(2-methylprop-2-enyl)-3,4,4a,5-tetrahydro-2H-quinoline
CID 67901449
1-ethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 68131276
1-pentyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 69829295
2-ethyl-2-(5-piperidin-1-ylpentyl)-5,6-dihydro-3H-isoquinolin-2-ium
CID 70063141
2,6-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 70084737
4-(1,2-dimethylpiperidin-4-yl)-1,2-dimethyl-2H-pyridine
CID 70559433

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane?
The IUPAC name of 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane (CID 142947055) is 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane.
What is the SMILES notation for 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane?
The canonical SMILES for 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane is C/C=C1/CCC(C)/C1=C/C(C)C.C=CN1CCC2=CCCC=C2C1.
What is the InChIKey of 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane?
The InChIKey is UTEQYODZSAILQG-QFKUQUOFSA-N. The full InChI is InChI=1S/C12H20.C11H15N/c1-5-11-7-6-10(4)12(11)8-9(2)3;1-2-12-8-7-10-5-3-4-6-11(10)9-12/h5,8-10H,6-7H2,1-4H3;2,5-6H,1,3-4,7-9H2/b11-5-,12-8-;.
What are the key properties of 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane?
2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane has a molecular weight of 325.54 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3,4,6,7-tetrahydro-1H-isoquinoline;(1Z,2Z)-1-ethylidene-3-methyl-2-(2-methylpropylidene)cyclopentane is sourced from PubChem (CID 142947055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).