N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C15H20N2O — CID 113466553

IUPACN-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESC=CCC(C)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-3-6-11(2)17-15(18)14-10-16-9-12-7-4-5-8-13(12)14/h3-5,7-8,11,14,16H,1,6,9-10H2,2H3,(H,17,18)
InChIKeyQOKNSHDSJSPAJN-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.95
Rot. Bonds4

About N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 113466553) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID113466553
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESC=CCC(C)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-3-6-11(2)17-15(18)14-10-16-9-12-7-4-5-8-13(12)14/h3-5,7-8,11,14,16H,1,6,9-10H2,2H3,(H,17,18)
InChIKeyQOKNSHDSJSPAJN-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 113466553) is N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is C=CCC(C)NC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is QOKNSHDSJSPAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-6-11(2)17-15(18)14-10-16-9-12-7-4-5-8-13(12)14/h3-5,7-8,11,14,16H,1,6,9-10H2,2H3,(H,17,18).
What are the key properties of N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 113466553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).