2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide

C13H17N3O3 — CID 91660403

IUPAC2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCNC1
InChIInChI=1S/C13H17N3O3/c17-13(15-9-11-4-5-14-8-11)7-10-2-1-3-12(6-10)16(18)19/h1-3,6,11,14H,4-5,7-9H2,(H,15,17)
InChIKeyDAHODLHGDXIASI-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.86
Rot. Bonds5

About 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide

2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide (PubChem CID 91660403) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
PubChem CID91660403
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCNC1
InChIInChI=1S/C13H17N3O3/c17-13(15-9-11-4-5-14-8-11)7-10-2-1-3-12(6-10)16(18)19/h1-3,6,11,14H,4-5,7-9H2,(H,15,17)
InChIKeyDAHODLHGDXIASI-UHFFFAOYSA-N
XLogP0.86
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.86
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

3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460321
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
methyl 3-[2-oxo-2-(pyrrolidin-3-ylmethylamino)ethyl]benzoate;hydrochloride
CID 166238732
4-nitro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564436
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630422
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-nitrophenyl)ethanone
CID 104541093
3-[2-[(3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795921
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460923
2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271866
sodium 2-(3-nitrophenyl)acetate
CID 20571503

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide (CID 91660403) is 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCNC1.
What is the InChIKey of 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The InChIKey is DAHODLHGDXIASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(15-9-11-4-5-14-8-11)7-10-2-1-3-12(6-10)16(18)19/h1-3,6,11,14H,4-5,7-9H2,(H,15,17).
What are the key properties of 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide?
2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide is sourced from PubChem (CID 91660403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).