cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide

C8H13NO — CID 45084091

IUPACcis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1[C@@H](C(N)=O)C1(C)C
InChIInChI=1S/C8H13NO/c1-4-5-6(7(9)10)8(5,2)3/h4-6H,1H2,2-3H3,(H2,9,10)/t5-,6+/m1/s1
InChIKeyWROHPCJAMKMZCS-RITPCOANSA-N
MW139.20 g/mol
LogP0.93
Rot. Bonds2

About cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide

cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 45084091) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID45084091
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Namecis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1[C@@H](C(N)=O)C1(C)C
InChIInChI=1S/C8H13NO/c1-4-5-6(7(9)10)8(5,2)3/h4-6H,1H2,2-3H3,(H2,9,10)/t5-,6+/m1/s1
InChIKeyWROHPCJAMKMZCS-RITPCOANSA-N
XLogP0.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.93
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 cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide (CID 45084091) is cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide is C=C[C@@H]1[C@@H](C(N)=O)C1(C)C.
What is the InChIKey of cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is WROHPCJAMKMZCS-RITPCOANSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-6(7(9)10)8(5,2)3/h4-6H,1H2,2-3H3,(H2,9,10)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide?
cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 45084091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).