1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide

C10H17N3O — CID 115172736

IUPAC1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide
SMILESCN1CCC(CCN(C)C(=O)C#N)C1
InChIInChI=1S/C10H17N3O/c1-12-5-3-9(8-12)4-6-13(2)10(14)7-11/h9H,3-6,8H2,1-2H3
InChIKeyMGELITXAWOLDAJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.31
Rot. Bonds3

About 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide

1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide (PubChem CID 115172736) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide
PubChem CID115172736
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide
SMILESCN1CCC(CCN(C)C(=O)C#N)C1
InChIInChI=1S/C10H17N3O/c1-12-5-3-9(8-12)4-6-13(2)10(14)7-11/h9H,3-6,8H2,1-2H3
InChIKeyMGELITXAWOLDAJ-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate
CID 115138668
N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 115183166
1-cyano-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183405
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115169549
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
CID 115236802
2-amino-N,2-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 115152812
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide?
The IUPAC name of 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide (CID 115172736) is 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide?
The canonical SMILES for 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide is CN1CCC(CCN(C)C(=O)C#N)C1.
What is the InChIKey of 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide?
The InChIKey is MGELITXAWOLDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-5-3-9(8-12)4-6-13(2)10(14)7-11/h9H,3-6,8H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide?
1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide has a molecular weight of 195.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide is sourced from PubChem (CID 115172736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).