3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide

C10H17N3O — CID 115173733

IUPAC3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CCC#N)C1
InChIInChI=1S/C10H17N3O/c1-12-7-5-9(8-12)13(2)10(14)4-3-6-11/h9H,3-5,7-8H2,1-2H3
InChIKeyQFOHZRPVWCOYMY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.45
Rot. Bonds3

About 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide

3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 115173733) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID115173733
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CCC#N)C1
InChIInChI=1S/C10H17N3O/c1-12-7-5-9(8-12)13(2)10(14)4-3-6-11/h9H,3-5,7-8H2,1-2H3
InChIKeyQFOHZRPVWCOYMY-UHFFFAOYSA-N
XLogP0.45
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-cyclopentyl-N-methylpropanamide
CID 115173721
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide
CID 59675990
2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115175075
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 62546411
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 115157304
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 115173838
2-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 64610616
1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 115183296
4-amino-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 60731508
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 63613912

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide (CID 115173733) is 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide is CN1CCC(N(C)C(=O)CCC#N)C1.
What is the InChIKey of 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is QFOHZRPVWCOYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-7-5-9(8-12)13(2)10(14)4-3-6-11/h9H,3-5,7-8H2,1-2H3.
What are the key properties of 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide?
3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 195.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 115173733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).