2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile

C10H18N2O — CID 130621142

IUPAC2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile
SMILESCC1(C)CN(C(C)(C)C#N)CC1O
InChIInChI=1S/C10H18N2O/c1-9(2)7-12(5-8(9)13)10(3,4)6-11/h8,13H,5,7H2,1-4H3
InChIKeyOAWAUYRVZLQRBT-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.99
Rot. Bonds1

About 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile

2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile (PubChem CID 130621142) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile
PubChem CID130621142
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile
SMILESCC1(C)CN(C(C)(C)C#N)CC1O
InChIInChI=1S/C10H18N2O/c1-9(2)7-12(5-8(9)13)10(3,4)6-11/h8,13H,5,7H2,1-4H3
InChIKeyOAWAUYRVZLQRBT-UHFFFAOYSA-N
XLogP0.99
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-methylpropyl)-4,4-dimethylpyrrolidin-3-ol
CID 126992519
1-ethyl-4,4-dimethylpyrrolidin-3-ol
CID 121207274
2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile
CID 126993052
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 130677391
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanenitrile
CID 130668061
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60692896
1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile
CID 167292339
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile
CID 130667119
2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile
CID 131160202
4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile
CID 126992515
5-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 125139702

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile (CID 130621142) is 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile is CC1(C)CN(C(C)(C)C#N)CC1O.
What is the InChIKey of 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile?
The InChIKey is OAWAUYRVZLQRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)7-12(5-8(9)13)10(3,4)6-11/h8,13H,5,7H2,1-4H3.
What are the key properties of 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile?
2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile has a molecular weight of 182.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 130621142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).