2-(3-hydroxypyrrolidin-3-yl)acetonitrile

C6H10N2O — CID 79116855

IUPAC2-(3-hydroxypyrrolidin-3-yl)acetonitrile
SMILESN#CCC1(O)CCNC1
InChIInChI=1S/C6H10N2O/c7-3-1-6(9)2-4-8-5-6/h8-9H,1-2,4-5H2
InChIKeyMYOSZROWDDDPJT-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.38
Rot. Bonds1

About 2-(3-hydroxypyrrolidin-3-yl)acetonitrile

2-(3-hydroxypyrrolidin-3-yl)acetonitrile (PubChem CID 79116855) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-3-yl)acetonitrile
PubChem CID79116855
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(3-hydroxypyrrolidin-3-yl)acetonitrile
SMILESN#CCC1(O)CCNC1
InChIInChI=1S/C6H10N2O/c7-3-1-6(9)2-4-8-5-6/h8-9H,1-2,4-5H2
InChIKeyMYOSZROWDDDPJT-UHFFFAOYSA-N
XLogP-0.38
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-3-yl)acetonitrile?
The IUPAC name of 2-(3-hydroxypyrrolidin-3-yl)acetonitrile (CID 79116855) is 2-(3-hydroxypyrrolidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-3-yl)acetonitrile?
The canonical SMILES for 2-(3-hydroxypyrrolidin-3-yl)acetonitrile is N#CCC1(O)CCNC1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-3-yl)acetonitrile?
The InChIKey is MYOSZROWDDDPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-3-1-6(9)2-4-8-5-6/h8-9H,1-2,4-5H2.
What are the key properties of 2-(3-hydroxypyrrolidin-3-yl)acetonitrile?
2-(3-hydroxypyrrolidin-3-yl)acetonitrile has a molecular weight of 126.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-3-yl)acetonitrile is sourced from PubChem (CID 79116855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).