1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one

C9H14ClNO — CID 106438474

IUPAC1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one
SMILESCC(=CCl)CN1CCC(=O)CC1
InChIInChI=1S/C9H14ClNO/c1-8(6-10)7-11-4-2-9(12)3-5-11/h6H,2-5,7H2,1H3
InChIKeyZSFFWQSKCIWNDX-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.79
Rot. Bonds2

About 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one

1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one (PubChem CID 106438474) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one
PubChem CID106438474
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one
SMILESCC(=CCl)CN1CCC(=O)CC1
InChIInChI=1S/C9H14ClNO/c1-8(6-10)7-11-4-2-9(12)3-5-11/h6H,2-5,7H2,1H3
InChIKeyZSFFWQSKCIWNDX-UHFFFAOYSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one (CID 106438474) is 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one is CC(=CCl)CN1CCC(=O)CC1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one?
The InChIKey is ZSFFWQSKCIWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c1-8(6-10)7-11-4-2-9(12)3-5-11/h6H,2-5,7H2,1H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one?
1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one has a molecular weight of 187.67 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)piperidin-4-one is sourced from PubChem (CID 106438474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).