(4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one

C15H19N3O3 — CID 97102213

IUPAC(4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O3/c1-10(11-2-4-14(5-3-11)18(20)21)16-12-8-15(19)17(9-12)13-6-7-13/h2-5,10,12-13,16H,6-9H2,1H3/t10-,12+/m1/s1
InChIKeyGSWYHWURMSRMIW-PWSUYJOCSA-N
MW289.33 g/mol
LogP2.01
Rot. Bonds5

About (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one

(4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one (PubChem CID 97102213) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
PubChem CID97102213
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O3/c1-10(11-2-4-14(5-3-11)18(20)21)16-12-8-15(19)17(9-12)13-6-7-13/h2-5,10,12-13,16H,6-9H2,1H3/t10-,12+/m1/s1
InChIKeyGSWYHWURMSRMIW-PWSUYJOCSA-N
XLogP2.01
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 ≤ 52.01
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-[1-(4-nitrophenyl)ethyl]cyclopropanamine
CID 43297230
(4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one
CID 97102179
3,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1,5-dioxecan-8-amine
CID 154525928
8-[1-(4-nitrophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235514
3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine
CID 103734615
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
1-(4-nitrophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295342
3-N-[(1S)-1-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine
CID 67618667
4-(5-bromo-2-nitroanilino)-1-cyclopropylpyrrolidin-2-one
CID 133368608
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 71924034
(3R)-6-bromo-N-[(1R)-1-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 54353659
N-methyl-1-[1-[1-(4-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 61205255

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one (CID 97102213) is (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one is C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one?
The InChIKey is GSWYHWURMSRMIW-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(11-2-4-14(5-3-11)18(20)21)16-12-8-15(19)17(9-12)13-6-7-13/h2-5,10,12-13,16H,6-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one?
(4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 97102213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).