2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile

C7H8BrNO — CID 10774452

IUPAC2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile
SMILESN#CCC1(O)CCC=C1Br
InChIInChI=1S/C7H8BrNO/c8-6-2-1-3-7(6,10)4-5-9/h2,10H,1,3-4H2
InChIKeySSIHPFAZHDBINB-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.70
Rot. Bonds1

About 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile

2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile (PubChem CID 10774452) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile
PubChem CID10774452
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile
SMILESN#CCC1(O)CCC=C1Br
InChIInChI=1S/C7H8BrNO/c8-6-2-1-3-7(6,10)4-5-9/h2,10H,1,3-4H2
InChIKeySSIHPFAZHDBINB-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Hydroxycyclopent-2-en-1-yl)acetonitrile
CID 10558647
Lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate
CID 10846015
2-Bromo-2-(1-hydroxycyclohex-2-en-1-yl)acetonitrile
CID 101065261

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile?
The IUPAC name of 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile (CID 10774452) is 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile?
The canonical SMILES for 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile is N#CCC1(O)CCC=C1Br.
What is the InChIKey of 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile?
The InChIKey is SSIHPFAZHDBINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-6-2-1-3-7(6,10)4-5-9/h2,10H,1,3-4H2.
What are the key properties of 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile?
2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile has a molecular weight of 202.05 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile is sourced from PubChem (CID 10774452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).