N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C15H21N3O3 — CID 106981171

IUPACN-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C15H21N3O3/c1-10(2)15(6-7-16-9-15)14(19)17-12-8-11(3)4-5-13(12)18(20)21/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyVMKFMABSBQPRRK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.48
Rot. Bonds4

About N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981171) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981171
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C15H21N3O3/c1-10(2)15(6-7-16-9-15)14(19)17-12-8-11(3)4-5-13(12)18(20)21/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyVMKFMABSBQPRRK-UHFFFAOYSA-N
XLogP2.48
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.48
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

N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641
N-(2-hydroxy-5-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107744568
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(5-methyl-2-nitrophenyl)cyclohexane-1-carboxamide
CID 88600402
1-(aminomethyl)-N-(5-methyl-2-nitrophenyl)cyclohexane-1-carboxamide
CID 115912642
N-[(2-nitrophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980545
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-(5-chloro-2-nitrophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63139685
4-methyl-3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106979941
N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979652
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979918

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981171) is N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccc([N+](=O)[O-])c(NC(=O)C2(C(C)C)CCNC2)c1.
What is the InChIKey of N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VMKFMABSBQPRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)15(6-7-16-9-15)14(19)17-12-8-11(3)4-5-13(12)18(20)21/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).