morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone

C15H19N3O4 — CID 56789582

IUPACmorpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1c1ccccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C15H19N3O4/c19-15(16-8-10-22-11-9-16)14-6-3-7-17(14)12-4-1-2-5-13(12)18(20)21/h1-2,4-5,14H,3,6-11H2
InChIKeyYPJDNKHFXVAVLZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.42
Rot. Bonds3

About morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone

morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone (PubChem CID 56789582) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone
PubChem CID56789582
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemorpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1c1ccccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C15H19N3O4/c19-15(16-8-10-22-11-9-16)14-6-3-7-17(14)12-4-1-2-5-13(12)18(20)21/h1-2,4-5,14H,3,6-11H2
InChIKeyYPJDNKHFXVAVLZ-UHFFFAOYSA-N
XLogP1.42
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide
CID 95787435
2-fluoro-6-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 96534911
(2R)-1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95625612
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone
CID 51532486
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 86797169
[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 97012579
[(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 97012580
1-[2-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 60585036
[1-(4-chloro-2-nitrophenyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 134051230
[2-(2,3-dihydroindole-1-carbonyl)cyclohexyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 46563046

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone (CID 56789582) is morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone is O=C(C1CCCN1c1ccccc1[N+](=O)[O-])N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone?
The InChIKey is YPJDNKHFXVAVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-15(16-8-10-22-11-9-16)14-6-3-7-17(14)12-4-1-2-5-13(12)18(20)21/h1-2,4-5,14H,3,6-11H2.
What are the key properties of morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone?
morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone has a molecular weight of 305.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 56789582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).