N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide

C14H18N2O — CID 114264864

IUPACN-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESC=CCCCNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O/c1-2-3-4-7-16-14(17)11-5-6-12-9-15-10-13(12)8-11/h2,5-6,8,15H,1,3-4,7,9-10H2,(H,16,17)
InChIKeyFDIAUQWUGSHKMQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.99
Rot. Bonds5

About N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide

N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 114264864) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID114264864
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESC=CCCCNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O/c1-2-3-4-7-16-14(17)11-5-6-12-9-15-10-13(12)8-11/h2,5-6,8,15H,1,3-4,7,9-10H2,(H,16,17)
InChIKeyFDIAUQWUGSHKMQ-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide 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

N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692
ethyl 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)butanoate
CID 103999025
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998665
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 106175471
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylbutanoic acid
CID 103999197
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 114264970
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489069
N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999158
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690

Frequently Asked Questions

What is the IUPAC name of N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide (CID 114264864) is N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide is C=CCCCNC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is FDIAUQWUGSHKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-4-7-16-14(17)11-5-6-12-9-15-10-13(12)8-11/h2,5-6,8,15H,1,3-4,7,9-10H2,(H,16,17).
What are the key properties of N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide?
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 114264864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).