N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide

C9H11BrN2O — CID 115636288

IUPACN-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(C#N)CCC1
InChIInChI=1S/C9H11BrN2O/c1-7(10)5-12-8(13)9(6-11)3-2-4-9/h1-5H2,(H,12,13)
InChIKeyUCPAWXYXMNXKJD-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.71
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide

N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide (PubChem CID 115636288) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide
PubChem CID115636288
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(C#N)CCC1
InChIInChI=1S/C9H11BrN2O/c1-7(10)5-12-8(13)9(6-11)3-2-4-9/h1-5H2,(H,12,13)
InChIKeyUCPAWXYXMNXKJD-UHFFFAOYSA-N
XLogP1.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide
CID 47438973
1-cyano-N-prop-2-enylcyclobutane-1-carboxamide
CID 78994524
1-cyano-3-methyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 80501050
1-cyano-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 114617268
1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 114617272
N-(2-chloroprop-2-enyl)-1-cyanocyclobutane-1-carboxamide
CID 115636676
N-(2-bromoprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 115693567
1-(aminomethyl)-N-(2-bromoprop-2-enyl)cyclobutane-1-carboxamide
CID 116029697
N-(2-bromoprop-2-enyl)-1-cyanocyclopropane-1-carboxamide
CID 116029825
N-(2-bromoprop-2-enyl)-2-cyanopentanamide
CID 116029826
N-(2-bromoprop-2-enyl)-2-cyano-2-ethylbutanamide
CID 116029827
N-(2-bromoprop-2-enyl)-2-cyano-2-methylbutanamide
CID 116029829

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide (CID 115636288) is N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide is C=C(Br)CNC(=O)C1(C#N)CCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide?
The InChIKey is UCPAWXYXMNXKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-7(10)5-12-8(13)9(6-11)3-2-4-9/h1-5H2,(H,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide?
N-(2-bromoprop-2-enyl)-1-cyanocyclobutane-1-carboxamide has a molecular weight of 243.10 g/mol, XLogP of 1.71, 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-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 115636288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).