2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one

C10H19ClN2O2 — CID 66056203

IUPAC2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H19ClN2O2/c1-7(11)10(15)13-6-9(14)4-8(13)5-12(2)3/h7-9,14H,4-6H2,1-3H3
InChIKeyDHVXPVCHCPVCTD-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.14
Rot. Bonds3

About 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one

2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one (PubChem CID 66056203) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
PubChem CID66056203
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H19ClN2O2/c1-7(11)10(15)13-6-9(14)4-8(13)5-12(2)3/h7-9,14H,4-6H2,1-3H3
InChIKeyDHVXPVCHCPVCTD-UHFFFAOYSA-N
XLogP0.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
(2R)-2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 113353519
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-methyl-3-oxopropanenitrile
CID 66054264
(2R)-2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 104908660
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]propanoic acid
CID 66052545
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
5-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentan-1-one
CID 66056594
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 66054462
(2R,4R)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79026709
cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052753
N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
CID 66052971
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropanenitrile
CID 66054659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one (CID 66056203) is 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one is CC(Cl)C(=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one?
The InChIKey is DHVXPVCHCPVCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-7(11)10(15)13-6-9(14)4-8(13)5-12(2)3/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one?
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one has a molecular weight of 234.73 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 66056203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).