3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen

C6H14N2O — CID 165132748

IUPAC3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen
SMILESCN(C)C1CCNC1=O.[H][H]
InChIInChI=1S/C6H12N2O.H2/c1-8(2)5-3-4-7-6(5)9;/h5H,3-4H2,1-2H3,(H,7,9);1H
InChIKeyHYBBIPMCVKXRQJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.32
Rot. Bonds1

About 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen

3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen (PubChem CID 165132748) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen
PubChem CID165132748
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen
SMILESCN(C)C1CCNC1=O.[H][H]
InChIInChI=1S/C6H12N2O.H2/c1-8(2)5-3-4-7-6(5)9;/h5H,3-4H2,1-2H3,(H,7,9);1H
InChIKeyHYBBIPMCVKXRQJ-UHFFFAOYSA-N
XLogP-0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one
CID 130694422
3-[2-iodoethyl(methyl)amino]azepan-2-one
CID 131019285
[acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid
CID 15598013
N-(2-oxopyrrolidin-3-yl)-N-propylacetamide
CID 91422765
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
1-methyl-1-(2-oxopiperidin-3-yl)urea
CID 130678600
3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea
CID 159990566
3-(dibenzylamino)pyrrolidin-2-one
CID 85390185
3-(2-methoxy-2-methylhydrazinyl)-4-methylpiperidin-2-one
CID 130667086
3-methylazepan-2-one;molecular hydrogen
CID 142072840
3-[benzyl(ethyl)amino]pyrrolidin-2-one
CID 23073394
3-(2-methylprop-1-enyl)pyrrolidin-2-one
CID 70521733

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen?
The IUPAC name of 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen (CID 165132748) is 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen.
What is the SMILES notation for 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen?
The canonical SMILES for 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen is CN(C)C1CCNC1=O.[H][H].
What is the InChIKey of 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen?
The InChIKey is HYBBIPMCVKXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.H2/c1-8(2)5-3-4-7-6(5)9;/h5H,3-4H2,1-2H3,(H,7,9);1H.
What are the key properties of 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen?
3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen has a molecular weight of 130.19 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen is sourced from PubChem (CID 165132748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).