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

C12H19Cl2NO — CID 125400178

IUPACtrans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C12H19Cl2NO/c1-5-15(6-2)11(16)10-8(7-9(13)14)12(10,3)4/h7-8,10H,5-6H2,1-4H3/t8-,10-/m0/s1
InChIKeyWHWOTZXPOONDLK-WPRPVWTQSA-N
MW264.20 g/mol
LogP3.45
Rot. Bonds4

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

trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 125400178) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID125400178
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Nametrans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C12H19Cl2NO/c1-5-15(6-2)11(16)10-8(7-9(13)14)12(10,3)4/h7-8,10H,5-6H2,1-4H3/t8-,10-/m0/s1
InChIKeyWHWOTZXPOONDLK-WPRPVWTQSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide
CID 125314568
1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 175320381
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
sodium cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 158637664
cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 677009
ethyl 3-(2-chloroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 139939004
2,2-dimethyl-3-(2,4,4-trichlorobuta-1,3-dienyl)cyclopropane-1-carboxylic acid
CID 54466422
3-(2,2-dichloroethenyl)-N-(furan-2-ylmethyl)-2,2-dimethyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]cyclopropane-1-carboxamide
CID 19243749
ethyl 3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23078061
3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 14770506

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide (CID 125400178) is trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide is CCN(CC)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-diethyl-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is WHWOTZXPOONDLK-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H19Cl2NO/c1-5-15(6-2)11(16)10-8(7-9(13)14)12(10,3)4/h7-8,10H,5-6H2,1-4H3/t8-,10-/m0/s1.
What are the key properties of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide?
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N-diethyl-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 264.20 g/mol, XLogP of 3.45, 4 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-diethyl-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 125400178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).