N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C16H20N2O — CID 106175471

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(NCCC1=CCCC1)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H20N2O/c19-16(18-8-7-12-3-1-2-4-12)13-5-6-14-10-17-11-15(14)9-13/h3,5-6,9,17H,1-2,4,7-8,10-11H2,(H,18,19)
InChIKeyRZWZWBJVLHSYIS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 106175471) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID106175471
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(NCCC1=CCCC1)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H20N2O/c19-16(18-8-7-12-3-1-2-4-12)13-5-6-14-10-17-11-15(14)9-13/h3,5-6,9,17H,1-2,4,7-8,10-11H2,(H,18,19)
InChIKeyRZWZWBJVLHSYIS-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106175431
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998665
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667
N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 114264864
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999158
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173095
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
6-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842426

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 106175471) is N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(NCCC1=CCCC1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is RZWZWBJVLHSYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(18-8-7-12-3-1-2-4-12)13-5-6-14-10-17-11-15(14)9-13/h3,5-6,9,17H,1-2,4,7-8,10-11H2,(H,18,19).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 106175471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).