3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide

C11H20N2O — CID 106186921

IUPAC3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
SMILESCC(C)=CCNC(=O)C1(C)CCNC1
InChIInChI=1S/C11H20N2O/c1-9(2)4-6-13-10(14)11(3)5-7-12-8-11/h4,12H,5-8H2,1-3H3,(H,13,14)
InChIKeyABVAVWZCQYWEBT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds3

About 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide

3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide (PubChem CID 106186921) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
PubChem CID106186921
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
SMILESCC(C)=CCNC(=O)C1(C)CCNC1
InChIInChI=1S/C11H20N2O/c1-9(2)4-6-13-10(14)11(3)5-7-12-8-11/h4,12H,5-8H2,1-3H3,(H,13,14)
InChIKeyABVAVWZCQYWEBT-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119755038
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 65120412
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 113308641
4-(methoxymethyl)-N-(3-methylbut-2-enyl)piperidine-4-carboxamide
CID 106187178
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide (CID 106186921) is 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide is CC(C)=CCNC(=O)C1(C)CCNC1.
What is the InChIKey of 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide?
The InChIKey is ABVAVWZCQYWEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)4-6-13-10(14)11(3)5-7-12-8-11/h4,12H,5-8H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide?
3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106186921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).