2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide

C8H11Br2NO — CID 2844906

IUPAC2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(C)CC1(Br)Br
InChIInChI=1S/C8H11Br2NO/c1-3-4-11-6(12)7(2)5-8(7,9)10/h3H,1,4-5H2,2H3,(H,11,12)
InChIKeyMSWWJJWFRBUPOG-UHFFFAOYSA-N
MW296.99 g/mol
LogP2.18
Rot. Bonds3

About 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide

2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 2844906) has the molecular formula C8H11Br2NO and a molecular weight of 296.99 g/mol. Its IUPAC name is 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID2844906
Molecular FormulaC8H11Br2NO
Molecular Weight296.99 g/mol
Exact Mass294.92
IUPAC Name2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(C)CC1(Br)Br
InChIInChI=1S/C8H11Br2NO/c1-3-4-11-6(12)7(2)5-8(7,9)10/h3H,1,4-5H2,2H3,(H,11,12)
InChIKeyMSWWJJWFRBUPOG-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.99
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide (CID 2844906) is 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1(C)CC1(Br)Br.
What is the InChIKey of 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is MSWWJJWFRBUPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2NO/c1-3-4-11-6(12)7(2)5-8(7,9)10/h3H,1,4-5H2,2H3,(H,11,12).
What are the key properties of 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide?
2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 296.99 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1-methyl-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 2844906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).