3-(2-chloroprop-2-enylamino)piperidin-2-one

C8H13ClN2O — CID 62093427

IUPAC3-(2-chloroprop-2-enylamino)piperidin-2-one
SMILESC=C(Cl)CNC1CCCNC1=O
InChIInChI=1S/C8H13ClN2O/c1-6(9)5-11-7-3-2-4-10-8(7)12/h7,11H,1-5H2,(H,10,12)
InChIKeyMZSNNTKALZKETC-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.61
Rot. Bonds3

About 3-(2-chloroprop-2-enylamino)piperidin-2-one

3-(2-chloroprop-2-enylamino)piperidin-2-one (PubChem CID 62093427) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(2-chloroprop-2-enylamino)piperidin-2-one
PubChem CID62093427
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name3-(2-chloroprop-2-enylamino)piperidin-2-one
SMILESC=C(Cl)CNC1CCCNC1=O
InChIInChI=1S/C8H13ClN2O/c1-6(9)5-11-7-3-2-4-10-8(7)12/h7,11H,1-5H2,(H,10,12)
InChIKeyMZSNNTKALZKETC-UHFFFAOYSA-N
XLogP0.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylprop-2-enylamino)piperidin-2-one
CID 62331735
N-cyclopropyl-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62093607
methyl 2-[(2-oxopiperidin-3-yl)amino]acetate
CID 22906858
N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide
CID 77030299
N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62092690
3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
CID 114493018
3-(cyclopentylmethylamino)azepan-2-one
CID 43317226
3-(pentylamino)piperidin-2-one
CID 62093756
3-(3,3,3-trifluoropropylamino)piperidin-2-one
CID 64554624
N-(3-chlorophenyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62092325
N-(3-methoxypropyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 55033154
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enylamino)piperidin-2-one?
The IUPAC name of 3-(2-chloroprop-2-enylamino)piperidin-2-one (CID 62093427) is 3-(2-chloroprop-2-enylamino)piperidin-2-one.
What is the SMILES notation for 3-(2-chloroprop-2-enylamino)piperidin-2-one?
The canonical SMILES for 3-(2-chloroprop-2-enylamino)piperidin-2-one is C=C(Cl)CNC1CCCNC1=O.
What is the InChIKey of 3-(2-chloroprop-2-enylamino)piperidin-2-one?
The InChIKey is MZSNNTKALZKETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-6(9)5-11-7-3-2-4-10-8(7)12/h7,11H,1-5H2,(H,10,12).
What are the key properties of 3-(2-chloroprop-2-enylamino)piperidin-2-one?
3-(2-chloroprop-2-enylamino)piperidin-2-one has a molecular weight of 188.66 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enylamino)piperidin-2-one is sourced from PubChem (CID 62093427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).