methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen

C12H27NO3 — CID 162682105

IUPACmethoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen
SMILESCCC(=O)C(C)CC1CCNC1=O.COC.[H][H].[H][H]
InChIInChI=1S/C10H17NO2.C2H6O.2H2/c1-3-9(12)7(2)6-8-4-5-11-10(8)13;1-3-2;;/h7-8H,3-6H2,1-2H3,(H,11,13);1-2H3;2*1H
InChIKeyRGFZBPXTHLOWDV-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.88
Rot. Bonds4

About methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen

methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen (PubChem CID 162682105) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Namemethoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen
PubChem CID162682105
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Namemethoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen
SMILESCCC(=O)C(C)CC1CCNC1=O.COC.[H][H].[H][H]
InChIInChI=1S/C10H17NO2.C2H6O.2H2/c1-3-9(12)7(2)6-8-4-5-11-10(8)13;1-3-2;;/h7-8H,3-6H2,1-2H3,(H,11,13);1-2H3;2*1H
InChIKeyRGFZBPXTHLOWDV-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 158532363
methyl 2-(2,2-dimethylpropanoylamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175531737
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691
[4-chloro-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamic acid
CID 166744904
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248
N'-[1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]oxamide
CID 175537584
methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 163323578
[(3S)-3-(chloroamino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] heptanoate
CID 167338959
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 162478934
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578

Frequently Asked Questions

What is the IUPAC name of methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen?
The IUPAC name of methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen (CID 162682105) is methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen.
What is the SMILES notation for methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen?
The canonical SMILES for methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen is CCC(=O)C(C)CC1CCNC1=O.COC.[H][H].[H][H].
What is the InChIKey of methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen?
The InChIKey is RGFZBPXTHLOWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.C2H6O.2H2/c1-3-9(12)7(2)6-8-4-5-11-10(8)13;1-3-2;;/h7-8H,3-6H2,1-2H3,(H,11,13);1-2H3;2*1H.
What are the key properties of methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen?
methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen has a molecular weight of 233.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;3-(2-methyl-3-oxopentyl)pyrrolidin-2-one;molecular hydrogen is sourced from PubChem (CID 162682105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).