2-[3-(ethylamino)oxolan-3-yl]acetonitrile

C8H14N2O — CID 123995436

IUPAC2-[3-(ethylamino)oxolan-3-yl]acetonitrile
SMILESCCNC1(CC#N)CCOC1
InChIInChI=1S/C8H14N2O/c1-2-10-8(3-5-9)4-6-11-7-8/h10H,2-4,6-7H2,1H3
InChIKeyXERLENRCZPTIAU-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.67
Rot. Bonds3

About 2-[3-(ethylamino)oxolan-3-yl]acetonitrile

2-[3-(ethylamino)oxolan-3-yl]acetonitrile (PubChem CID 123995436) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[3-(ethylamino)oxolan-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(ethylamino)oxolan-3-yl]acetonitrile
PubChem CID123995436
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[3-(ethylamino)oxolan-3-yl]acetonitrile
SMILESCCNC1(CC#N)CCOC1
InChIInChI=1S/C8H14N2O/c1-2-10-8(3-5-9)4-6-11-7-8/h10H,2-4,6-7H2,1H3
InChIKeyXERLENRCZPTIAU-UHFFFAOYSA-N
XLogP0.67
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)oxolan-3-yl]acetonitrile?
The IUPAC name of 2-[3-(ethylamino)oxolan-3-yl]acetonitrile (CID 123995436) is 2-[3-(ethylamino)oxolan-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-(ethylamino)oxolan-3-yl]acetonitrile?
The canonical SMILES for 2-[3-(ethylamino)oxolan-3-yl]acetonitrile is CCNC1(CC#N)CCOC1.
What is the InChIKey of 2-[3-(ethylamino)oxolan-3-yl]acetonitrile?
The InChIKey is XERLENRCZPTIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-10-8(3-5-9)4-6-11-7-8/h10H,2-4,6-7H2,1H3.
What are the key properties of 2-[3-(ethylamino)oxolan-3-yl]acetonitrile?
2-[3-(ethylamino)oxolan-3-yl]acetonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)oxolan-3-yl]acetonitrile is sourced from PubChem (CID 123995436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).