1-cyano-N-methyl-N-propylformamide

C6H10N2O — CID 115171945

IUPAC1-cyano-N-methyl-N-propylformamide
SMILESCCCN(C)C(=O)C#N
InChIInChI=1S/C6H10N2O/c1-3-4-8(2)6(9)5-7/h3-4H2,1-2H3
InChIKeyHPGFLFNWJCZDTP-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.38
Rot. Bonds2

About 1-cyano-N-methyl-N-propylformamide

1-cyano-N-methyl-N-propylformamide (PubChem CID 115171945) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-propylformamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-propylformamide
PubChem CID115171945
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-cyano-N-methyl-N-propylformamide
SMILESCCCN(C)C(=O)C#N
InChIInChI=1S/C6H10N2O/c1-3-4-8(2)6(9)5-7/h3-4H2,1-2H3
InChIKeyHPGFLFNWJCZDTP-UHFFFAOYSA-N
XLogP0.38
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide
CID 115172601
1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
2-chloro-2,2-difluoro-N-methyl-N-propylacetamide
CID 131223041
1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea
CID 123232495
(2R)-2-hydroxy-N-methyl-N-propylpropanamide
CID 130891820
N,2-dimethyl-N-propylbutanamide
CID 89368936
N-hexyl-3-iodo-N-methylprop-2-ynamide
CID 139991390
N-[(4-tert-butylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172283
1-cyano-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylformamide
CID 115172701
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-propylformamide?
The IUPAC name of 1-cyano-N-methyl-N-propylformamide (CID 115171945) is 1-cyano-N-methyl-N-propylformamide.
What is the SMILES notation for 1-cyano-N-methyl-N-propylformamide?
The canonical SMILES for 1-cyano-N-methyl-N-propylformamide is CCCN(C)C(=O)C#N.
What is the InChIKey of 1-cyano-N-methyl-N-propylformamide?
The InChIKey is HPGFLFNWJCZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-4-8(2)6(9)5-7/h3-4H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-propylformamide?
1-cyano-N-methyl-N-propylformamide has a molecular weight of 126.16 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-propylformamide is sourced from PubChem (CID 115171945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).