N-(cyclopentylideneamino)-4-nitrobenzamide

C12H13N3O3 — CID 9498

IUPACN-(cyclopentylideneamino)-4-nitrobenzamide
SMILESO=C(NN=C1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H13N3O3/c16-12(14-13-10-3-1-2-4-10)9-5-7-11(8-6-9)15(17)18/h5-8H,1-4H2,(H,14,16)
InChIKeyQVSXYVVAOWEMJV-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.25
Rot. Bonds3

About N-(cyclopentylideneamino)-4-nitrobenzamide

N-(cyclopentylideneamino)-4-nitrobenzamide (PubChem CID 9498) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-nitrobenzamide
PubChem CID9498
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(cyclopentylideneamino)-4-nitrobenzamide
SMILESO=C(NN=C1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H13N3O3/c16-12(14-13-10-3-1-2-4-10)9-5-7-11(8-6-9)15(17)18/h5-8H,1-4H2,(H,14,16)
InChIKeyQVSXYVVAOWEMJV-UHFFFAOYSA-N
XLogP2.25
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-Nitrobenzamide
CID 12091
Benzoic acid, 4-nitro-, hydrazide
CID 3693744
N'-[(E)-(2-nitrophenyl)methylidene]benzohydrazide
CID 5332530
N-Hydroxy-4-nitrobenzamide
CID 5043691
1,2-Bis(4-nitrobenzoyl)hydrazine
CID 3373596
N'-(4-Nitrobenzylidene)benzohydrazide
CID 6861632
n'-(3-Nitrobenzylidene)benzohydrazide
CID 6861631
N-(4-nitrobenzoyl)-N'-phenylhydrazine
CID 3401606
BENZOIC ACID, p-NITRO-, ACETYLHYDRAZIDE
CID 3332418
3-Methyl-4-nitrobenzhydrazide
CID 3308571
2-nitro-N'-(5-isopropenyl-2-methyl-2-cyclohexen-1-ylidene)benzohydrazide
CID 5936243
N'-benzoyl-4-nitrobenzohydrazide
CID 3696545

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-4-nitrobenzamide?
The IUPAC name of N-(cyclopentylideneamino)-4-nitrobenzamide (CID 9498) is N-(cyclopentylideneamino)-4-nitrobenzamide.
What is the SMILES notation for N-(cyclopentylideneamino)-4-nitrobenzamide?
The canonical SMILES for N-(cyclopentylideneamino)-4-nitrobenzamide is O=C(NN=C1CCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(cyclopentylideneamino)-4-nitrobenzamide?
The InChIKey is QVSXYVVAOWEMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-12(14-13-10-3-1-2-4-10)9-5-7-11(8-6-9)15(17)18/h5-8H,1-4H2,(H,14,16).
What are the key properties of N-(cyclopentylideneamino)-4-nitrobenzamide?
N-(cyclopentylideneamino)-4-nitrobenzamide has a molecular weight of 247.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-nitrobenzamide is sourced from PubChem (CID 9498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).