N-cyclopent-2-en-1-yl-4-nitrobenzamide

C12H12N2O3 — CID 14688662

IUPACN-cyclopent-2-en-1-yl-4-nitrobenzamide
SMILESO=C(NC1C=CCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H12N2O3/c15-12(13-10-3-1-2-4-10)9-5-7-11(8-6-9)14(16)17/h1,3,5-8,10H,2,4H2,(H,13,15)
InChIKeyXBEPQZFRSZZBCK-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.04
Rot. Bonds3

About N-cyclopent-2-en-1-yl-4-nitrobenzamide

N-cyclopent-2-en-1-yl-4-nitrobenzamide (PubChem CID 14688662) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-cyclopent-2-en-1-yl-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopent-2-en-1-yl-4-nitrobenzamide
PubChem CID14688662
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-cyclopent-2-en-1-yl-4-nitrobenzamide
SMILESO=C(NC1C=CCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H12N2O3/c15-12(13-10-3-1-2-4-10)9-5-7-11(8-6-9)14(16)17/h1,3,5-8,10H,2,4H2,(H,13,15)
InChIKeyXBEPQZFRSZZBCK-UHFFFAOYSA-N
XLogP2.04
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
CID 11630293
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-[(2Z)-cyclooct-2-en-1-yl]benzamide
CID 101020756
N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide
CID 10378768
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
CID 54037439
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide
CID 45146206
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-nitrobenzamide
CID 12074090

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-2-en-1-yl-4-nitrobenzamide?
The IUPAC name of N-cyclopent-2-en-1-yl-4-nitrobenzamide (CID 14688662) is N-cyclopent-2-en-1-yl-4-nitrobenzamide.
What is the SMILES notation for N-cyclopent-2-en-1-yl-4-nitrobenzamide?
The canonical SMILES for N-cyclopent-2-en-1-yl-4-nitrobenzamide is O=C(NC1C=CCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-cyclopent-2-en-1-yl-4-nitrobenzamide?
The InChIKey is XBEPQZFRSZZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-12(13-10-3-1-2-4-10)9-5-7-11(8-6-9)14(16)17/h1,3,5-8,10H,2,4H2,(H,13,15).
What are the key properties of N-cyclopent-2-en-1-yl-4-nitrobenzamide?
N-cyclopent-2-en-1-yl-4-nitrobenzamide has a molecular weight of 232.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-2-en-1-yl-4-nitrobenzamide is sourced from PubChem (CID 14688662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).