3-[(E)-4-methylpent-1-enyl]isoquinoline

C15H17N — CID 140702879

IUPAC3-[(E)-4-methylpent-1-enyl]isoquinoline
SMILESCC(C)C/C=C/c1cc2ccccc2cn1
InChIInChI=1S/C15H17N/c1-12(2)6-5-9-15-10-13-7-3-4-8-14(13)11-16-15/h3-5,7-12H,6H2,1-2H3/b9-5+
InChIKeyJOFVSPVTCBMTCA-WEVVVXLNSA-N
MW211.31 g/mol
LogP4.29
Rot. Bonds3

About 3-[(E)-4-methylpent-1-enyl]isoquinoline

3-[(E)-4-methylpent-1-enyl]isoquinoline (PubChem CID 140702879) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[(E)-4-methylpent-1-enyl]isoquinoline.

Molecular Properties

Compound Name3-[(E)-4-methylpent-1-enyl]isoquinoline
PubChem CID140702879
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-[(E)-4-methylpent-1-enyl]isoquinoline
SMILESCC(C)C/C=C/c1cc2ccccc2cn1
InChIInChI=1S/C15H17N/c1-12(2)6-5-9-15-10-13-7-3-4-8-14(13)11-16-15/h3-5,7-12H,6H2,1-2H3/b9-5+
InChIKeyJOFVSPVTCBMTCA-WEVVVXLNSA-N
XLogP4.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[(E)-4-methylpent-1-enyl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloroprop-1-enyl)isoquinoline
CID 54559719
2-[(E)-4-methylpent-1-enyl]naphthalene
CID 15318830
ethyl (E)-3-isoquinolin-3-ylprop-2-enoate
CID 67289613
3-(3-methylbutan-2-yl)isoquinoline
CID 176748881
(1R)-1-isoquinolin-3-ylethanamine
CID 131033550
1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
CID 84820301
5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine
CID 129451859
3-[3-[4-(2-methylpropyl)phenyl]phenyl]isoquinoline
CID 170539197
7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol
CID 70263255
1-isoquinolin-3-yl-N-methylethanimine
CID 162729378
4-[(E)-4-methylpent-1-enyl]pyridine
CID 118334247
N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 110848375

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-4-methylpent-1-enyl]isoquinoline?
The IUPAC name of 3-[(E)-4-methylpent-1-enyl]isoquinoline (CID 140702879) is 3-[(E)-4-methylpent-1-enyl]isoquinoline.
What is the SMILES notation for 3-[(E)-4-methylpent-1-enyl]isoquinoline?
The canonical SMILES for 3-[(E)-4-methylpent-1-enyl]isoquinoline is CC(C)C/C=C/c1cc2ccccc2cn1.
What is the InChIKey of 3-[(E)-4-methylpent-1-enyl]isoquinoline?
The InChIKey is JOFVSPVTCBMTCA-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H17N/c1-12(2)6-5-9-15-10-13-7-3-4-8-14(13)11-16-15/h3-5,7-12H,6H2,1-2H3/b9-5+.
What are the key properties of 3-[(E)-4-methylpent-1-enyl]isoquinoline?
3-[(E)-4-methylpent-1-enyl]isoquinoline has a molecular weight of 211.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-methylpent-1-enyl]isoquinoline is sourced from PubChem (CID 140702879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).