1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide

C11H17N3O2 — CID 80598252

IUPAC1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(C#N)CC1
InChIInChI=1S/C11H17N3O2/c1-4-14(7-9(15)13(2)3)10(16)11(8-12)5-6-11/h4-7H2,1-3H3
InChIKeyAJPPHIALNQNOOU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.23
Rot. Bonds4

About 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide

1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide (PubChem CID 80598252) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
PubChem CID80598252
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)C1(C#N)CC1
InChIInChI=1S/C11H17N3O2/c1-4-14(7-9(15)13(2)3)10(16)11(8-12)5-6-11/h4-7H2,1-3H3
InChIKeyAJPPHIALNQNOOU-UHFFFAOYSA-N
XLogP0.23
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide (CID 80598252) is 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide is CCN(CC(=O)N(C)C)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide?
The InChIKey is AJPPHIALNQNOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-14(7-9(15)13(2)3)10(16)11(8-12)5-6-11/h4-7H2,1-3H3.
What are the key properties of 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide?
1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 80598252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).