3-methyl-N-pentylpyrrolidine-2-carboxamide

C11H22N2O — CID 102776846

IUPAC3-methyl-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)C1NCCC1C
InChIInChI=1S/C11H22N2O/c1-3-4-5-7-13-11(14)10-9(2)6-8-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyVZXHLDBOBJRAAA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds5

About 3-methyl-N-pentylpyrrolidine-2-carboxamide

3-methyl-N-pentylpyrrolidine-2-carboxamide (PubChem CID 102776846) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-N-pentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-pentylpyrrolidine-2-carboxamide
PubChem CID102776846
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methyl-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)C1NCCC1C
InChIInChI=1S/C11H22N2O/c1-3-4-5-7-13-11(14)10-9(2)6-8-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyVZXHLDBOBJRAAA-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide
CID 102779934
N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102778285
3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide
CID 102778900
3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
CID 106011258
2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 102780024
N-(2-cyclobutylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102780059
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777393
N-[2-(dimethylsulfamoyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 106337275
N-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide
CID 91507842
N-[3-(dimethylamino)propyl]-3-methylpiperidine-2-carboxamide
CID 62338925
N-(cyclobutylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102777267

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentylpyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-pentylpyrrolidine-2-carboxamide (CID 102776846) is 3-methyl-N-pentylpyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-pentylpyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-pentylpyrrolidine-2-carboxamide is CCCCCNC(=O)C1NCCC1C.
What is the InChIKey of 3-methyl-N-pentylpyrrolidine-2-carboxamide?
The InChIKey is VZXHLDBOBJRAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-5-7-13-11(14)10-9(2)6-8-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-N-pentylpyrrolidine-2-carboxamide?
3-methyl-N-pentylpyrrolidine-2-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102776846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).