ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

C10H21NO2 — CID 143652915

IUPACethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC.COC[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C8H15NO2.C2H6/c1-7(10)9-5-3-4-8(9)6-11-2;1-2/h8H,3-6H2,1-2H3;1-2H3/t8-;/m0./s1
InChIKeyDDGHJUWZUWRXSN-QRPNPIFTSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds2

About ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 143652915) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID143652915
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC.COC[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C8H15NO2.C2H6/c1-7(10)9-5-3-4-8(9)6-11-2;1-2/h8H,3-6H2,1-2H3;1-2H3/t8-;/m0./s1
InChIKeyDDGHJUWZUWRXSN-QRPNPIFTSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
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tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
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ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
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cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
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1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone
CID 96551952
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
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(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
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1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
CID 166480351
CID 166480351
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 143652915) is ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is CC.COC[C@@H]1CCCN1C(C)=O.
What is the InChIKey of ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is DDGHJUWZUWRXSN-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-7(10)9-5-3-4-8(9)6-11-2;1-2/h8H,3-6H2,1-2H3;1-2H3/t8-;/m0./s1.
What are the key properties of ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 187.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143652915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).