5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one

C9H15ClN2O — CID 106437797

IUPAC5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one
SMILESCC(=CCl)CNCC1CCC(=O)N1
InChIInChI=1S/C9H15ClN2O/c1-7(4-10)5-11-6-8-2-3-9(13)12-8/h4,8,11H,2-3,5-6H2,1H3,(H,12,13)
InChIKeyJURBODPMGYETTE-UHFFFAOYSA-N
MW202.68 g/mol
LogP1.00
Rot. Bonds4

About 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one

5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one (PubChem CID 106437797) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one
PubChem CID106437797
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one
SMILESCC(=CCl)CNCC1CCC(=O)N1
InChIInChI=1S/C9H15ClN2O/c1-7(4-10)5-11-6-8-2-3-9(13)12-8/h4,8,11H,2-3,5-6H2,1H3,(H,12,13)
InChIKeyJURBODPMGYETTE-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-[[ethyl(2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one
CID 141078100
3-chloro-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]propanamide
CID 64431982
5-[(2-Methylprop-2-enylamino)methyl]pyrrolidin-2-one
CID 64432013
5-[(2-Chloroprop-2-enylamino)methyl]pyrrolidin-2-one
CID 64433795
5-[(2-Methylidenebutylamino)methyl]pyrrolidin-2-one
CID 66047136
5-[(2,3-Dichloroprop-2-enylamino)methyl]pyrrolidin-2-one
CID 79167557
5-[[[(E)-4-chlorobut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 81429678
5-(Aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 82503119
5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one
CID 82504519
5-(Aminomethyl)-1-(2-chloroprop-2-enyl)pyrrolidin-2-one
CID 82504520
N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide
CID 102780039
(2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide
CID 103797176

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one (CID 106437797) is 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one is CC(=CCl)CNCC1CCC(=O)N1.
What is the InChIKey of 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is JURBODPMGYETTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7(4-10)5-11-6-8-2-3-9(13)12-8/h4,8,11H,2-3,5-6H2,1H3,(H,12,13).
What are the key properties of 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one?
5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 202.68 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 106437797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).