2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile

C10H18N2O — CID 126993052

IUPAC2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile
SMILESCCC1(O)CCN(C(C)(C)C#N)C1
InChIInChI=1S/C10H18N2O/c1-4-10(13)5-6-12(8-10)9(2,3)7-11/h13H,4-6,8H2,1-3H3
InChIKeyNZZVZLPIGCTTJN-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.14
Rot. Bonds2

About 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile

2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile (PubChem CID 126993052) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile
PubChem CID126993052
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile
SMILESCCC1(O)CCN(C(C)(C)C#N)C1
InChIInChI=1S/C10H18N2O/c1-4-10(13)5-6-12(8-10)9(2,3)7-11/h13H,4-6,8H2,1-3H3
InChIKeyNZZVZLPIGCTTJN-UHFFFAOYSA-N
XLogP1.14
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
1,3-diethylpyrrolidin-3-ol
CID 67586028
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol
CID 58993905
2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-2-methylpropanenitrile
CID 130621142
1-tert-butyl-3-methylpyrrolidine-3-carbonitrile
CID 129119605
4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79161762
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
2-methyl-2-(4-pent-3-ynylpiperazin-1-yl)propanenitrile
CID 104807701
3-ethyl-1-propan-2-ylpiperidin-3-ol
CID 121277357

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile (CID 126993052) is 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile is CCC1(O)CCN(C(C)(C)C#N)C1.
What is the InChIKey of 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile?
The InChIKey is NZZVZLPIGCTTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-10(13)5-6-12(8-10)9(2,3)7-11/h13H,4-6,8H2,1-3H3.
What are the key properties of 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile?
2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 126993052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).