cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide

C11H17Cl2NO — CID 677009

IUPACcis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C11H17Cl2NO/c1-6(2)14-10(15)9-7(5-8(12)13)11(9,3)4/h5-7,9H,1-4H3,(H,14,15)/t7-,9+/m0/s1
InChIKeyGKDWOFMVXJVTCT-IONNQARKSA-N
MW250.17 g/mol
LogP3.10
Rot. Bonds3

About cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide

cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 677009) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID677009
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Namecis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C11H17Cl2NO/c1-6(2)14-10(15)9-7(5-8(12)13)11(9,3)4/h5-7,9H,1-4H3,(H,14,15)/t7-,9+/m0/s1
InChIKeyGKDWOFMVXJVTCT-IONNQARKSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 677009) is cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C.
What is the InChIKey of cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is GKDWOFMVXJVTCT-IONNQARKSA-N. The full InChI is InChI=1S/C11H17Cl2NO/c1-6(2)14-10(15)9-7(5-8(12)13)11(9,3)4/h5-7,9H,1-4H3,(H,14,15)/t7-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 250.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 677009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).