(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide

C14H17N3O3 — CID 68685984

IUPAC(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H17N3O3/c18-14(15-10-3-4-10)13-2-1-9-16(13)11-5-7-12(8-6-11)17(19)20/h5-8,10,13H,1-4,9H2,(H,15,18)/t13-/m1/s1
InChIKeyJRYOGVTXRZKWRT-CYBMUJFWSA-N
MW275.31 g/mol
LogP1.84
Rot. Bonds4

About (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide

(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 68685984) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID68685984
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H17N3O3/c18-14(15-10-3-4-10)13-2-1-9-16(13)11-5-7-12(8-6-11)17(19)20/h5-8,10,13H,1-4,9H2,(H,15,18)/t13-/m1/s1
InChIKeyJRYOGVTXRZKWRT-CYBMUJFWSA-N
XLogP1.84
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
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

N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide
CID 86805168
carbamoyl 1-(4-nitrophenyl)pyrrolidine-2-carboxylate
CID 91262224
(2S)-N-(4-tert-butylcyclohexyl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 46844122
(2R)-1-(6-cyano-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 99636693
N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 75218553
(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061702
2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 78877015
2-methoxy-1-(4-nitrophenyl)pyrrolidine
CID 90244532
(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 99636699
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
N-cyclopropyl-1-[2-(2-nitrophenyl)acetyl]pyrrolidine-2-carboxamide
CID 86924380

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide (CID 68685984) is (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide is O=C(NC1CC1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is JRYOGVTXRZKWRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(15-10-3-4-10)13-2-1-9-16(13)11-5-7-12(8-6-11)17(19)20/h5-8,10,13H,1-4,9H2,(H,15,18)/t13-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide?
(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 68685984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).