N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide

C9H15ClN2O3 — CID 64596602

IUPACN-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)NC(=O)CCl)C1
InChIInChI=1S/C9H15ClN2O3/c1-15-6-7-2-3-12(5-7)9(14)11-8(13)4-10/h7H,2-6H2,1H3,(H,11,13,14)
InChIKeyFMVYKVGEUOYCMZ-UHFFFAOYSA-N
MW234.68 g/mol
LogP0.43
Rot. Bonds3

About N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide

N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 64596602) has the molecular formula C9H15ClN2O3 and a molecular weight of 234.68 g/mol. Its IUPAC name is N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID64596602
Molecular FormulaC9H15ClN2O3
Molecular Weight234.68 g/mol
Exact Mass234.08
IUPAC NameN-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)NC(=O)CCl)C1
InChIInChI=1S/C9H15ClN2O3/c1-15-6-7-2-3-12(5-7)9(14)11-8(13)4-10/h7H,2-6H2,1H3,(H,11,13,14)
InChIKeyFMVYKVGEUOYCMZ-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 50.43
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

N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
CID 43146182
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 106587526
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 107840207
2-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328777
N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 103500767
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63978057
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
N,N-diethyl-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 115642604
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64597217

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide (CID 64596602) is N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide is COCC1CCN(C(=O)NC(=O)CCl)C1.
What is the InChIKey of N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is FMVYKVGEUOYCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O3/c1-15-6-7-2-3-12(5-7)9(14)11-8(13)4-10/h7H,2-6H2,1H3,(H,11,13,14).
What are the key properties of N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 234.68 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 64596602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).