N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide

C8H10BrNO — CID 143412987

IUPACN-(5-bromocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCCC(Br)=C1
InChIInChI=1S/C8H10BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyPSXSDSKEONNLQL-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.08
Rot. Bonds1

About N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide

N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 143412987) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromocyclohexa-1,5-dien-1-yl)acetamide
PubChem CID143412987
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC NameN-(5-bromocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCCC(Br)=C1
InChIInChI=1S/C8H10BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyPSXSDSKEONNLQL-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide (CID 143412987) is N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide is CC(=O)NC1=CCCC(Br)=C1.
What is the InChIKey of N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is PSXSDSKEONNLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide?
N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 216.08 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 143412987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).