3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide

C14H19N3O3 — CID 63139771

IUPAC3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCNC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10(11-4-3-5-12(8-11)17(19)20)16-13(18)14(2)6-7-15-9-14/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyIVTXQCPHEPNYED-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.77
Rot. Bonds4

About 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide

3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63139771) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63139771
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCNC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10(11-4-3-5-12(8-11)17(19)20)16-13(18)14(2)6-7-15-9-14/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyIVTXQCPHEPNYED-UHFFFAOYSA-N
XLogP1.77
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.77
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-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 81373361
1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
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CID 55877109
N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 119944327
2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
CID 64684273
2-(azetidin-3-ylidene)-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 116675993
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
CID 63122554
N-[1-(3-nitrophenyl)ethyl]-3-oxobutanamide
CID 54867131
(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119287279
3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 54862606
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide (CID 63139771) is 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1(C)CCNC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is IVTXQCPHEPNYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(11-4-3-5-12(8-11)17(19)20)16-13(18)14(2)6-7-15-9-14/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide?
3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).