N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide

C15H19N3O3 — CID 94795717

IUPACN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H19N3O3/c19-15(9-11-3-1-2-4-14(11)18(20)21)16-12-7-8-17(10-12)13-5-6-13/h1-4,12-13H,5-10H2,(H,16,19)/t12-/m0/s1
InChIKeyIJJUZPLTYTVVBE-LBPRGKRZSA-N
MW289.33 g/mol
LogP1.49
Rot. Bonds5

About N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide (PubChem CID 94795717) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide
PubChem CID94795717
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H19N3O3/c19-15(9-11-3-1-2-4-14(11)18(20)21)16-12-7-8-17(10-12)13-5-6-13/h1-4,12-13H,5-10H2,(H,16,19)/t12-/m0/s1
InChIKeyIJJUZPLTYTVVBE-LBPRGKRZSA-N
XLogP1.49
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.49
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

2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566297
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(2-nitrophenyl)methyl]guanidine
CID 111918525
1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 107349090
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide
CID 102741670
2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099902
1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
CID 81309720
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 134020582
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2,3-dichlorophenyl)propanamide
CID 47076999
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-nitrophenyl)acetamide
CID 976012
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
tert-butyl (3R)-3-[(2-nitrophenyl)methylamino]pyrrolidine-1-carboxylate
CID 129194777

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide (CID 94795717) is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1.
What is the InChIKey of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide?
The InChIKey is IJJUZPLTYTVVBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-15(9-11-3-1-2-4-14(11)18(20)21)16-12-7-8-17(10-12)13-5-6-13/h1-4,12-13H,5-10H2,(H,16,19)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide?
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 94795717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).