1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide

C11H18N2O2 — CID 89200903

IUPAC1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide
SMILESC=C(C)C(C(=O)NCC)C1(C(N)=O)CC1
InChIInChI=1S/C11H18N2O2/c1-4-13-9(14)8(7(2)3)11(5-6-11)10(12)15/h8H,2,4-6H2,1,3H3,(H2,12,15)(H,13,14)
InChIKeyQQLDLZHMTZVSHH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.58
Rot. Bonds5

About 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide

1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide (PubChem CID 89200903) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide
PubChem CID89200903
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide
SMILESC=C(C)C(C(=O)NCC)C1(C(N)=O)CC1
InChIInChI=1S/C11H18N2O2/c1-4-13-9(14)8(7(2)3)11(5-6-11)10(12)15/h8H,2,4-6H2,1,3H3,(H2,12,15)(H,13,14)
InChIKeyQQLDLZHMTZVSHH-UHFFFAOYSA-N
XLogP0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide (CID 89200903) is 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide is C=C(C)C(C(=O)NCC)C1(C(N)=O)CC1.
What is the InChIKey of 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide?
The InChIKey is QQLDLZHMTZVSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-13-9(14)8(7(2)3)11(5-6-11)10(12)15/h8H,2,4-6H2,1,3H3,(H2,12,15)(H,13,14).
What are the key properties of 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide?
1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-3-methyl-1-oxobut-3-en-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 89200903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).