1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one

C10H18ClNO2 — CID 130899092

IUPAC1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one
SMILESCC1C(=O)N(CC(O)CCl)C(C)C1C
InChIInChI=1S/C10H18ClNO2/c1-6-7(2)10(14)12(8(6)3)5-9(13)4-11/h6-9,13H,4-5H2,1-3H3
InChIKeyPDPHXWSFIVPNAH-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.09
Rot. Bonds3

About 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one

1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one (PubChem CID 130899092) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one
PubChem CID130899092
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one
SMILESCC1C(=O)N(CC(O)CCl)C(C)C1C
InChIInChI=1S/C10H18ClNO2/c1-6-7(2)10(14)12(8(6)3)5-9(13)4-11/h6-9,13H,4-5H2,1-3H3
InChIKeyPDPHXWSFIVPNAH-UHFFFAOYSA-N
XLogP1.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one
CID 130941367
1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one
CID 131097871
1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one
CID 131198115
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
1-(3-chloro-2-hydroxypropyl)piperidin-4-one
CID 130130972
1-(3-chloro-2-hydroxypropyl)-6-methylpyridin-2-one
CID 112560173
1,4-diethyl-3-methylazetidin-2-one
CID 123697315
1-(3-chloro-2-hydroxypropyl)-3-methylpyridin-2-one
CID 112560286
5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one
CID 129106299
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-(3-chloro-2-hydroxypropyl)-4,6-dimethylpyrimidin-2-one
CID 112560032
1-(bromomethylsulfonyl)-3,4,5-trimethylpyrrolidin-2-one
CID 131223544

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one (CID 130899092) is 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one is CC1C(=O)N(CC(O)CCl)C(C)C1C.
What is the InChIKey of 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one?
The InChIKey is PDPHXWSFIVPNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-6-7(2)10(14)12(8(6)3)5-9(13)4-11/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one?
1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one has a molecular weight of 219.71 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 130899092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).