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

C11H14N4O3 — CID 62236217

IUPAC(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC1
InChIInChI=1S/C11H14N4O3/c12-13-10-4-3-8(15(17)18)7-9(10)11(16)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6,12H2
InChIKeyWTHDSBFATPPARS-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.12
Rot. Bonds3

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

(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 62236217) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
PubChem CID62236217
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC1
InChIInChI=1S/C11H14N4O3/c12-13-10-4-3-8(15(17)18)7-9(10)11(16)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6,12H2
InChIKeyWTHDSBFATPPARS-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

(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62247895
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64694171
2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
CID 83024874
(2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102971070
[2-(methylamino)-5-nitrophenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62181229
5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
CID 79156697
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 13063489
[2-(ethylamino)-5-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 62171291
(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236403
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone (CID 62236217) is (2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone is NNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC1.
What is the InChIKey of (2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is WTHDSBFATPPARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-13-10-4-3-8(15(17)18)7-9(10)11(16)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6,12H2.
What are the key properties of (2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
(2-hydrazinyl-5-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 (2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 62236217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).