3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide

C11H15Cl2NO — CID 3114611

IUPAC3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1C(C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C11H15Cl2NO/c1-4-5-14-10(15)9-7(6-8(12)13)11(9,2)3/h4,6-7,9H,1,5H2,2-3H3,(H,14,15)
InChIKeyNVEKSCIIIWJEKA-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.88
Rot. Bonds4

About 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide

3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 3114611) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID3114611
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1C(C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C11H15Cl2NO/c1-4-5-14-10(15)9-7(6-8(12)13)11(9,2)3/h4,6-7,9H,1,5H2,2-3H3,(H,14,15)
InChIKeyNVEKSCIIIWJEKA-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide (CID 3114611) is 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1C(C=C(Cl)Cl)C1(C)C.
What is the InChIKey of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is NVEKSCIIIWJEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-4-5-14-10(15)9-7(6-8(12)13)11(9,2)3/h4,6-7,9H,1,5H2,2-3H3,(H,14,15).
What are the key properties of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide?
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 248.15 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 3114611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).