(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride

C11H14ClN3O3 — CID 121235183

IUPAC(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1
InChIInChI=1S/C11H13N3O3.ClH/c15-11(10-2-1-7-12-10)13-8-3-5-9(6-4-8)14(16)17;/h3-6,10,12H,1-2,7H2,(H,13,15);1H/t10-;/m0./s1
InChIKeyMBIBRJAPRVDQLW-PPHPATTJSA-N
MW271.70 g/mol
LogP1.71
Rot. Bonds3

About (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 121235183) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID121235183
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1
InChIInChI=1S/C11H13N3O3.ClH/c15-11(10-2-1-7-12-10)13-8-3-5-9(6-4-8)14(16)17;/h3-6,10,12H,1-2,7H2,(H,13,15);1H/t10-;/m0./s1
InChIKeyMBIBRJAPRVDQLW-PPHPATTJSA-N
XLogP1.71
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-(2-chloro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 61180184
(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 161304880
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 121235183) is (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MBIBRJAPRVDQLW-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13N3O3.ClH/c15-11(10-2-1-7-12-10)13-8-3-5-9(6-4-8)14(16)17;/h3-6,10,12H,1-2,7H2,(H,13,15);1H/t10-;/m0./s1.
What are the key properties of (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 271.70 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 121235183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).