(2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone

C15H19N3O4 — CID 2934552

IUPAC(2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCC1
InChIInChI=1S/C15H19N3O4/c19-15(17-5-1-2-6-17)13-11-12(18(20)21)3-4-14(13)16-7-9-22-10-8-16/h3-4,11H,1-2,5-10H2
InChIKeyNLZGQCFRDZUTBP-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.67
Rot. Bonds3

About (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone

(2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 2934552) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
PubChem CID2934552
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCC1
InChIInChI=1S/C15H19N3O4/c19-15(17-5-1-2-6-17)13-11-12(18(20)21)3-4-14(13)16-7-9-22-10-8-16/h3-4,11H,1-2,5-10H2
InChIKeyNLZGQCFRDZUTBP-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone (CID 2934552) is (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone is O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCC1.
What is the InChIKey of (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is NLZGQCFRDZUTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-15(17-5-1-2-6-17)13-11-12(18(20)21)3-4-14(13)16-7-9-22-10-8-16/h3-4,11H,1-2,5-10H2.
What are the key properties of (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone?
(2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 305.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-5-nitrophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2934552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).