N-(2-bromoprop-2-enyl)cyclobutanecarboxamide

C8H12BrNO — CID 115594612

IUPACN-(2-bromoprop-2-enyl)cyclobutanecarboxamide
SMILESC=C(Br)CNC(=O)C1CCC1
InChIInChI=1S/C8H12BrNO/c1-6(9)5-10-8(11)7-3-2-4-7/h7H,1-5H2,(H,10,11)
InChIKeyWFTGNSPNWHYVQV-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.81
Rot. Bonds3

About N-(2-bromoprop-2-enyl)cyclobutanecarboxamide

N-(2-bromoprop-2-enyl)cyclobutanecarboxamide (PubChem CID 115594612) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)cyclobutanecarboxamide
PubChem CID115594612
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC NameN-(2-bromoprop-2-enyl)cyclobutanecarboxamide
SMILESC=C(Br)CNC(=O)C1CCC1
InChIInChI=1S/C8H12BrNO/c1-6(9)5-10-8(11)7-3-2-4-7/h7H,1-5H2,(H,10,11)
InChIKeyWFTGNSPNWHYVQV-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 56794154
Cyclobutylcarboxamide, N-allyl-
CID 55207578
N-(2-bromoprop-2-enyl)-1-fluorocyclobutane-1-carboxamide
CID 130658591
N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
CID 130683239
N-(2-bromoprop-2-enyl)-3,3-difluorocyclobutane-1-carboxamide
CID 130683927
Cyclobutylcarboxamide, N-methallyl-
CID 91695691
N-(3-bromopropyl)cyclobutanecarboxamide
CID 43133631
N-(2-bromoprop-2-enyl)-2-cyclobutylacetamide
CID 103707123
5-amino-N-(2-bromoprop-2-enyl)pentanamide
CID 104069590
5-bromo-N-(2-bromoprop-2-enyl)pentanamide
CID 107910577
N-(2-bromopropyl)cyclobutanecarboxamide
CID 114308840
N-(2-bromoprop-2-enyl)-3-methylpentanamide
CID 114875349

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)cyclobutanecarboxamide (CID 115594612) is N-(2-bromoprop-2-enyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)cyclobutanecarboxamide is C=C(Br)CNC(=O)C1CCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)cyclobutanecarboxamide?
The InChIKey is WFTGNSPNWHYVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-6(9)5-10-8(11)7-3-2-4-7/h7H,1-5H2,(H,10,11).
What are the key properties of N-(2-bromoprop-2-enyl)cyclobutanecarboxamide?
N-(2-bromoprop-2-enyl)cyclobutanecarboxamide has a molecular weight of 218.09 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)cyclobutanecarboxamide is sourced from PubChem (CID 115594612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).