N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide

C11H20N2O2 — CID 59675990

IUPACN-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide
SMILESCCC(=O)CC(=O)N(C)C1CCN(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-10(14)7-11(15)13(3)9-5-6-12(2)8-9/h9H,4-8H2,1-3H3
InChIKeyNXWJIKKZOLZHKV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.52
Rot. Bonds4

About N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide

N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide (PubChem CID 59675990) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide
PubChem CID59675990
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide
SMILESCCC(=O)CC(=O)N(C)C1CCN(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-10(14)7-11(15)13(3)9-5-6-12(2)8-9/h9H,4-8H2,1-3H3
InChIKeyNXWJIKKZOLZHKV-UHFFFAOYSA-N
XLogP0.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115173733
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 115157304
4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115151057
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802
2-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 64610616
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
ethane;N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide;yttrium
CID 160588404

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide?
The IUPAC name of N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide (CID 59675990) is N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide.
What is the SMILES notation for N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide?
The canonical SMILES for N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide is CCC(=O)CC(=O)N(C)C1CCN(C)C1.
What is the InChIKey of N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide?
The InChIKey is NXWJIKKZOLZHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-10(14)7-11(15)13(3)9-5-6-12(2)8-9/h9H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide?
N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide has a molecular weight of 212.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide is sourced from PubChem (CID 59675990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).