N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide

C9H14N2O2 — CID 43289801

IUPACN-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide
SMILESC=CCOCC(=O)N(C)CCC#N
InChIInChI=1S/C9H14N2O2/c1-3-7-13-8-9(12)11(2)6-4-5-10/h3H,1,4,6-8H2,2H3
InChIKeySIIBWPLJFGBHSK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.56
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide

N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide (PubChem CID 43289801) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide
PubChem CID43289801
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide
SMILESC=CCOCC(=O)N(C)CCC#N
InChIInChI=1S/C9H14N2O2/c1-3-7-13-8-9(12)11(2)6-4-5-10/h3H,1,4,6-8H2,2H3
InChIKeySIIBWPLJFGBHSK-UHFFFAOYSA-N
XLogP0.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.56
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide (CID 43289801) is N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide is C=CCOCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide?
The InChIKey is SIIBWPLJFGBHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7-13-8-9(12)11(2)6-4-5-10/h3H,1,4,6-8H2,2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide?
N-(2-cyanoethyl)-N-methyl-2-prop-2-enoxyacetamide has a molecular weight of 182.22 g/mol, XLogP of 0.56, 6 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-2-prop-2-enoxyacetamide is sourced from PubChem (CID 43289801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).