2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline

C18H28N2 — CID 90983086

IUPAC2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline
SMILESC=CCC(C)C(C)N1CC2CC3CCC=CC3=NC2C1
InChIInChI=1S/C18H28N2/c1-4-7-13(2)14(3)20-11-16-10-15-8-5-6-9-17(15)19-18(16)12-20/h4,6,9,13-16,18H,1,5,7-8,10-12H2,2-3H3
InChIKeyQJSKVZZTRXCPQH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.70
Rot. Bonds4

About 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline

2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline (PubChem CID 90983086) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline.

Molecular Properties

Compound Name2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline
PubChem CID90983086
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline
SMILESC=CCC(C)C(C)N1CC2CC3CCC=CC3=NC2C1
InChIInChI=1S/C18H28N2/c1-4-7-13(2)14(3)20-11-16-10-15-8-5-6-9-17(15)19-18(16)12-20/h4,6,9,13-16,18H,1,5,7-8,10-12H2,2-3H3
InChIKeyQJSKVZZTRXCPQH-UHFFFAOYSA-N
XLogP3.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline with MolForge

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Related Compounds

4-Methyl-5-prop-2-enyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53778331
N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine
CID 123984515

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline?
The IUPAC name of 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline (CID 90983086) is 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline.
What is the SMILES notation for 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline?
The canonical SMILES for 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline is C=CCC(C)C(C)N1CC2CC3CCC=CC3=NC2C1.
What is the InChIKey of 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline?
The InChIKey is QJSKVZZTRXCPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-7-13(2)14(3)20-11-16-10-15-8-5-6-9-17(15)19-18(16)12-20/h4,6,9,13-16,18H,1,5,7-8,10-12H2,2-3H3.
What are the key properties of 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline?
2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline has a molecular weight of 272.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline is sourced from PubChem (CID 90983086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).