N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide

C10H13BrN2O — CID 115693567

IUPACN-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C10H13BrN2O/c1-7-3-10(4-7,6-12)9(14)13-5-8(2)11/h7H,2-5H2,1H3,(H,13,14)
InChIKeyUCYCHQIQGKCACW-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.95
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide

N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide (PubChem CID 115693567) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
PubChem CID115693567
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C10H13BrN2O/c1-7-3-10(4-7,6-12)9(14)13-5-8(2)11/h7H,2-5H2,1H3,(H,13,14)
InChIKeyUCYCHQIQGKCACW-UHFFFAOYSA-N
XLogP1.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide (CID 115693567) is N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide is C=C(Br)CNC(=O)C1(C#N)CC(C)C1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
The InChIKey is UCYCHQIQGKCACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-3-10(4-7,6-12)9(14)13-5-8(2)11/h7H,2-5H2,1H3,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide?
N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide has a molecular weight of 257.13 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115693567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).