[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone

C11H18ClNO2 — CID 130834478

IUPAC[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1C(CCl)CCN1C(=O)C1CCCO1
InChIInChI=1S/C11H18ClNO2/c1-8-9(7-12)4-5-13(8)11(14)10-3-2-6-15-10/h8-10H,2-7H2,1H3
InChIKeyHNXJALYQTNBYOZ-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.64
Rot. Bonds2

About [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone

[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 130834478) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID130834478
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1C(CCl)CCN1C(=O)C1CCCO1
InChIInChI=1S/C11H18ClNO2/c1-8-9(7-12)4-5-13(8)11(14)10-3-2-6-15-10/h8-10H,2-7H2,1H3
InChIKeyHNXJALYQTNBYOZ-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
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

2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 106742253
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931
(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 110728429
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 99782883
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone (CID 130834478) is [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone is CC1C(CCl)CCN1C(=O)C1CCCO1.
What is the InChIKey of [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is HNXJALYQTNBYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-8-9(7-12)4-5-13(8)11(14)10-3-2-6-15-10/h8-10H,2-7H2,1H3.
What are the key properties of [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone?
[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 231.72 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 130834478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).