(3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone

C11H13ClN4O3 — CID 62237135

IUPAC(3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
SMILESNNc1c(Cl)cc(C(=O)N2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN4O3/c12-8-5-7(11(17)15-3-1-2-4-15)6-9(16(18)19)10(8)14-13/h5-6,14H,1-4,13H2
InChIKeyOOASAPBEAFHEKF-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.77
Rot. Bonds3

About (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone

(3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 62237135) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
PubChem CID62237135
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name(3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
SMILESNNc1c(Cl)cc(C(=O)N2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN4O3/c12-8-5-7(11(17)15-3-1-2-4-15)6-9(16(18)19)10(8)14-13/h5-6,14H,1-4,13H2
InChIKeyOOASAPBEAFHEKF-UHFFFAOYSA-N
XLogP1.77
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.77
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

(3-chloro-4-hydrazinyl-5-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 62234108
[3-chloro-4-(methylamino)-5-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 62173229
[3-chloro-4-(methylamino)-5-nitrophenyl]-(3-methylpiperidin-1-yl)methanone
CID 62172221
(3,4-dichloro-5-nitrophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62059401
3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
CID 62236284
(4-amino-3-chloro-5-nitrophenyl)-(1,4-thiazepan-4-yl)methanone
CID 62187353
(4-amino-3-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 62155078
[3-methoxy-4-(methylamino)-5-nitrophenyl]-piperidin-1-ylmethanone
CID 154359204
3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
CID 62237870
[3-chloro-4-(methylamino)-5-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170769
3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide
CID 113467485
(3-chloro-4-nitrophenyl)-(1,4-oxazepan-4-yl)methanone
CID 82780556

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone (CID 62237135) is (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone is NNc1c(Cl)cc(C(=O)N2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is OOASAPBEAFHEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c12-8-5-7(11(17)15-3-1-2-4-15)6-9(16(18)19)10(8)14-13/h5-6,14H,1-4,13H2.
What are the key properties of (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
(3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 284.70 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 62237135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).