(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone

C11H14N4O3 — CID 62236403

IUPAC(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1
InChIInChI=1S/C11H14N4O3/c12-13-8-3-4-10(15(17)18)9(7-8)11(16)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6,12H2
InChIKeyUGDZODTUBSUAHT-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.12
Rot. Bonds3

About (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone

(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 62236403) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
PubChem CID62236403
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1
InChIInChI=1S/C11H14N4O3/c12-13-8-3-4-10(15(17)18)9(7-8)11(16)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6,12H2
InChIKeyUGDZODTUBSUAHT-UHFFFAOYSA-N
XLogP1.12
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

(5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 55051176
[5-(cyclopentylamino)-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 51087984
azepan-1-yl-(5-hydroxy-2-nitrophenyl)methanone
CID 102740374
(5-methyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 65463039
4-[4-nitro-3-(pyrrolidine-1-carbonyl)anilino]butanoic acid
CID 122058639
(2S)-3-methyl-2-[4-nitro-3-(pyrrolidine-1-carbonyl)anilino]butanoic acid
CID 122049615
5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62640963
(2S)-4-methyl-2-[4-nitro-3-(pyrrolidine-1-carbonyl)anilino]pentanoic acid
CID 122050224
[5-[(4-methylsulfanylphenyl)methylamino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 133272125
4-[4-[4-nitro-3-(pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]benzamide
CID 133307626
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
[2-nitro-5-[(2-piperidin-1-ylphenyl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 133439744

Frequently Asked Questions

What is the IUPAC name of (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone (CID 62236403) is (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone is NNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1.
What is the InChIKey of (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is UGDZODTUBSUAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-13-8-3-4-10(15(17)18)9(7-8)11(16)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6,12H2.
What are the key properties of (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone?
(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 250.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 62236403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).