N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide

C11H17ClN2O2 — CID 66567496

IUPACN-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide
SMILESCC(=O)N(C1CC1)C1CCN(C(=O)CCl)C1
InChIInChI=1S/C11H17ClN2O2/c1-8(15)14(9-2-3-9)10-4-5-13(7-10)11(16)6-12/h9-10H,2-7H2,1H3
InChIKeyCGQTXZQZCLDICM-UHFFFAOYSA-N
MW244.72 g/mol
LogP0.84
Rot. Bonds3

About N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide

N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide (PubChem CID 66567496) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide
PubChem CID66567496
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide
SMILESCC(=O)N(C1CC1)C1CCN(C(=O)CCl)C1
InChIInChI=1S/C11H17ClN2O2/c1-8(15)14(9-2-3-9)10-4-5-13(7-10)11(16)6-12/h9-10H,2-7H2,1H3
InChIKeyCGQTXZQZCLDICM-UHFFFAOYSA-N
XLogP0.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 50.84
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

N-[[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]methyl]-N-ethylacetamide
CID 96887284
benzyl N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
CID 66566638
N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
CID 66567488
N-[(3S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-cyclopropylacetamide
CID 66567713
1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-chloroethanone
CID 14331
tert-butyl N-[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 66566130
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]-2-chloroethanone
CID 66567085
2-chloro-1-[3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 66567923
2-chloro-1-[3-(fluoromethyl)pyrrolidin-1-yl]ethanone
CID 121200994
2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid
CID 66567790

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide?
The IUPAC name of N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide (CID 66567496) is N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide?
The canonical SMILES for N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide is CC(=O)N(C1CC1)C1CCN(C(=O)CCl)C1.
What is the InChIKey of N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide?
The InChIKey is CGQTXZQZCLDICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-8(15)14(9-2-3-9)10-4-5-13(7-10)11(16)6-12/h9-10H,2-7H2,1H3.
What are the key properties of N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide?
N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide has a molecular weight of 244.72 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 66567496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).