N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine

C11H15N3O2 — CID 63301700

IUPACN-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)C1CCNC1
InChIInChI=1S/C11H15N3O2/c1-13(11-6-7-12-8-11)9-2-4-10(5-3-9)14(15)16/h2-5,11-12H,6-8H2,1H3
InChIKeyADJLBYPCVGGDFW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.39
Rot. Bonds3

About N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine

N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine (PubChem CID 63301700) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
PubChem CID63301700
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)C1CCNC1
InChIInChI=1S/C11H15N3O2/c1-13(11-6-7-12-8-11)9-2-4-10(5-3-9)14(15)16/h2-5,11-12H,6-8H2,1H3
InChIKeyADJLBYPCVGGDFW-UHFFFAOYSA-N
XLogP1.39
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.39
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-(2-methyl-5-nitrophenyl)pyrrolidin-3-amine
CID 63301746
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
N-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidin-3-amine
CID 63301254
N-methyl-5-nitro-N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 71641407
N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine
CID 63301397
1-methyl-3-(4-nitrophenyl)-1-pyrrolidin-3-ylurea
CID 63297706
4-(N-methyl-4-nitroanilino)cyclohexan-1-one
CID 79120446
N-methyl-5-nitro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
CID 71641409
N-methyl-6-nitro-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641222
3-[methyl(pyrrolidin-3-yl)amino]-4-nitrobenzonitrile
CID 113444462
2-fluoro-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297857
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978596

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine (CID 63301700) is N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine is CN(c1ccc([N+](=O)[O-])cc1)C1CCNC1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine?
The InChIKey is ADJLBYPCVGGDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13(11-6-7-12-8-11)9-2-4-10(5-3-9)14(15)16/h2-5,11-12H,6-8H2,1H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine?
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine has a molecular weight of 221.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 63301700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).