N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide

C10H16N2O2 — CID 43289803

IUPACN-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide
SMILESC=CCOCCC(=O)N(C)CCC#N
InChIInChI=1S/C10H16N2O2/c1-3-8-14-9-5-10(13)12(2)7-4-6-11/h3H,1,4-5,7-9H2,2H3
InChIKeyRCPPZPBRDLZCJZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.95
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide

N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide (PubChem CID 43289803) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide
PubChem CID43289803
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide
SMILESC=CCOCCC(=O)N(C)CCC#N
InChIInChI=1S/C10H16N2O2/c1-3-8-14-9-5-10(13)12(2)7-4-6-11/h3H,1,4-5,7-9H2,2H3
InChIKeyRCPPZPBRDLZCJZ-UHFFFAOYSA-N
XLogP0.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-but-3-enoxy-N-(2-cyanoethyl)-N-methylpropanamide
CID 43289821
3-[(E)-but-2-enoxy]-N-(2-cyanoethyl)-N-methylpropanamide
CID 55211441
3-but-2-enoxy-N-(2-cyanoethyl)-N-methylpropanamide
CID 76175193
N-(2-cyanoethyl)-N-methyl-3-pent-4-enoxypropanamide
CID 79114532

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide (CID 43289803) is N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide is C=CCOCCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide?
The InChIKey is RCPPZPBRDLZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-8-14-9-5-10(13)12(2)7-4-6-11/h3H,1,4-5,7-9H2,2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide?
N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide is sourced from PubChem (CID 43289803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).