1-[(E)-3-chloroprop-2-enyl]piperidin-4-one

C8H12ClNO — CID 24710215

IUPAC1-[(E)-3-chloroprop-2-enyl]piperidin-4-one
SMILESO=C1CCN(C/C=C/Cl)CC1
InChIInChI=1S/C8H12ClNO/c9-4-1-5-10-6-2-8(11)3-7-10/h1,4H,2-3,5-7H2/b4-1+
InChIKeyCADDRFKGGJRCPJ-DAFODLJHSA-N
MW173.64 g/mol
LogP1.40
Rot. Bonds2

About 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one

1-[(E)-3-chloroprop-2-enyl]piperidin-4-one (PubChem CID 24710215) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]piperidin-4-one
PubChem CID24710215
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name1-[(E)-3-chloroprop-2-enyl]piperidin-4-one
SMILESO=C1CCN(C/C=C/Cl)CC1
InChIInChI=1S/C8H12ClNO/c9-4-1-5-10-6-2-8(11)3-7-10/h1,4H,2-3,5-7H2/b4-1+
InChIKeyCADDRFKGGJRCPJ-DAFODLJHSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one (CID 24710215) is 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one is O=C1CCN(C/C=C/Cl)CC1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one?
The InChIKey is CADDRFKGGJRCPJ-DAFODLJHSA-N. The full InChI is InChI=1S/C8H12ClNO/c9-4-1-5-10-6-2-8(11)3-7-10/h1,4H,2-3,5-7H2/b4-1+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one?
1-[(E)-3-chloroprop-2-enyl]piperidin-4-one has a molecular weight of 173.64 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]piperidin-4-one is sourced from PubChem (CID 24710215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).