N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C13H18ClN3O3 — CID 119723179

IUPACN-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCNC1.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-15(13(17)10-6-7-14-8-10)9-11-4-2-3-5-12(11)16(18)19;/h2-5,10,14H,6-9H2,1H3;1H
InChIKeySCSNZCZDURXDTQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.58
Rot. Bonds4

About N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119723179) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119723179
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC NameN-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCNC1.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-15(13(17)10-6-7-14-8-10)9-11-4-2-3-5-12(11)16(18)19;/h2-5,10,14H,6-9H2,1H3;1H
InChIKeySCSNZCZDURXDTQ-UHFFFAOYSA-N
XLogP1.58
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.58
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-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561
N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005308
(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 124685812
2-(azetidin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 116676410
N-[2-(2-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119802906
9-amino-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985593
N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006596
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120787403
(1S,2R,4S)-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129376999
3-amino-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119723153
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119723179) is N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCNC1.Cl.
What is the InChIKey of N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SCSNZCZDURXDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.ClH/c1-15(13(17)10-6-7-14-8-10)9-11-4-2-3-5-12(11)16(18)19;/h2-5,10,14H,6-9H2,1H3;1H.
What are the key properties of N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119723179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).