(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one

C10H18ClNO2 — CID 129499508

IUPAC(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
SMILESCC[C@@H](Cl)C(=O)N1CCC[C@@H]1COC
InChIInChI=1S/C10H18ClNO2/c1-3-9(11)10(13)12-6-4-5-8(12)7-14-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeySNOVAKRFEFWQBZ-RKDXNWHRSA-N
MW219.71 g/mol
LogP1.64
Rot. Bonds4

About (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one

(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 129499508) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
PubChem CID129499508
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
SMILESCC[C@@H](Cl)C(=O)N1CCC[C@@H]1COC
InChIInChI=1S/C10H18ClNO2/c1-3-9(11)10(13)12-6-4-5-8(12)7-14-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeySNOVAKRFEFWQBZ-RKDXNWHRSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.64
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

ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
N-[1-cyclohexyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
CID 70315088
ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 143059682
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
3-amino-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexane-1,2-dione
CID 145466754
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one (CID 129499508) is (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one is CC[C@@H](Cl)C(=O)N1CCC[C@@H]1COC.
What is the InChIKey of (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is SNOVAKRFEFWQBZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-3-9(11)10(13)12-6-4-5-8(12)7-14-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one?
(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 219.71 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 129499508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).