trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide

C10H15Cl2NO — CID 125314568

IUPACtrans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C10H15Cl2NO/c1-10(2)6(5-7(11)12)8(10)9(14)13(3)4/h5-6,8H,1-4H3/t6-,8-/m0/s1
InChIKeyMCICHIVHTHPKKW-XPUUQOCRSA-N
MW236.14 g/mol
LogP2.67
Rot. Bonds2

About trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide

trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide (PubChem CID 125314568) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide
PubChem CID125314568
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Nametrans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C10H15Cl2NO/c1-10(2)6(5-7(11)12)8(10)9(14)13(3)4/h5-6,8H,1-4H3/t6-,8-/m0/s1
InChIKeyMCICHIVHTHPKKW-XPUUQOCRSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide
CID 125400178
cis-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88637023
trans-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 98114590
CID 170844573
CID 170844573
1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 175320381
sodium cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 158637664
trans-methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 7023133
2,2-dimethyl-3-(2,4,4-trichlorobuta-1,3-dienyl)cyclopropane-1-carboxylic acid
CID 54466422
cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 677009
cis-(1S,3R)-N-(4-bromophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1368388
3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 14770506
3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide
CID 54565449

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide (CID 125314568) is trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide is CN(C)C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C.
What is the InChIKey of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide?
The InChIKey is MCICHIVHTHPKKW-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H15Cl2NO/c1-10(2)6(5-7(11)12)8(10)9(14)13(3)4/h5-6,8H,1-4H3/t6-,8-/m0/s1.
What are the key properties of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide?
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide has a molecular weight of 236.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 125314568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).