2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone

C11H21ClN2O — CID 66567928

IUPAC2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(C)N(C)C[C@@H]1CCCN1C(=O)CCl
InChIInChI=1S/C11H21ClN2O/c1-9(2)13(3)8-10-5-4-6-14(10)11(15)7-12/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyGIYDNXNOTQJZFH-JTQLQIEISA-N
MW232.75 g/mol
LogP1.56
Rot. Bonds4

About 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone

2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 66567928) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
PubChem CID66567928
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(C)N(C)C[C@@H]1CCCN1C(=O)CCl
InChIInChI=1S/C11H21ClN2O/c1-9(2)13(3)8-10-5-4-6-14(10)11(15)7-12/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyGIYDNXNOTQJZFH-JTQLQIEISA-N
XLogP1.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 77144333
N-[[(2S)-1-(2-chloroacetyl)piperidin-2-yl]methyl]-N-ethylacetamide
CID 96887291
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
benzyl N-[[1-(2-chloroacetyl)pyrrolidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566627
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
2-amino-1-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554850
1-[2-(chloromethyl)pyrrolidin-1-yl]propan-1-one
CID 63394674
benzyl N-[[(2S)-1-(2-chloroacetyl)piperidin-2-yl]methyl]-N-methylcarbamate
CID 96553932
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
1-[2-(2-chloroethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63393584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone (CID 66567928) is 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone is CC(C)N(C)C[C@@H]1CCCN1C(=O)CCl.
What is the InChIKey of 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is GIYDNXNOTQJZFH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21ClN2O/c1-9(2)13(3)8-10-5-4-6-14(10)11(15)7-12/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone?
2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 232.75 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 66567928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).