ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one

C11H23NO2 — CID 156638793

IUPACethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC.CC1(C)CC(CCCO)C(=O)N1
InChIInChI=1S/C9H17NO2.C2H6/c1-9(2)6-7(4-3-5-11)8(12)10-9;1-2/h7,11H,3-6H2,1-2H3,(H,10,12);1-2H3
InChIKeyAIMMRLWVQVPBAI-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds3

About ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one

ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 156638793) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID156638793
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC.CC1(C)CC(CCCO)C(=O)N1
InChIInChI=1S/C9H17NO2.C2H6/c1-9(2)6-7(4-3-5-11)8(12)10-9;1-2/h7,11H,3-6H2,1-2H3,(H,10,12);1-2H3
InChIKeyAIMMRLWVQVPBAI-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one
CID 167482044
3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one
CID 139389161
tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
CID 163782535
3-[2-(7,7-dimethyl-1-oxo-1,4-thiazepan-4-yl)ethyl]-5,5-dimethylpyrrolidin-2-one
CID 166265324
methyl (2S)-2-[[(2S)-4,4-dimethyl-2-(methylamino)pentanoyl]amino]-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate
CID 166893534
(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide
CID 162695443
(3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 177455085
[(2S)-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid
CID 175890922
tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate
CID 167481864
3-(5-hydroxypentyl)pyrrolidin-2-one
CID 104679269
methyl (2S)-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162479345
ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
CID 167481225

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one (CID 156638793) is ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one is CC.CC1(C)CC(CCCO)C(=O)N1.
What is the InChIKey of ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is AIMMRLWVQVPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-9(2)6-7(4-3-5-11)8(12)10-9;1-2/h7,11H,3-6H2,1-2H3,(H,10,12);1-2H3.
What are the key properties of ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one?
ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 156638793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).