1-(oxolan-3-yl)ethanimine

C6H11NO — CID 123431537

IUPAC1-(oxolan-3-yl)ethanimine
SMILES[H]/N=C(\C)C1CCOC1
InChIInChI=1S/C6H11NO/c1-5(7)6-2-3-8-4-6/h6-7H,2-4H2,1H3/b7-5+
InChIKeyOJPLTABIPBBLTB-FNORWQNLSA-N
MW113.16 g/mol
LogP1.06
Rot. Bonds1

About 1-(oxolan-3-yl)ethanimine

1-(oxolan-3-yl)ethanimine (PubChem CID 123431537) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-(oxolan-3-yl)ethanimine.

Molecular Properties

Compound Name1-(oxolan-3-yl)ethanimine
PubChem CID123431537
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-(oxolan-3-yl)ethanimine
SMILES[H]/N=C(\C)C1CCOC1
InChIInChI=1S/C6H11NO/c1-5(7)6-2-3-8-4-6/h6-7H,2-4H2,1H3/b7-5+
InChIKeyOJPLTABIPBBLTB-FNORWQNLSA-N
XLogP1.06
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)ethanimine?
The IUPAC name of 1-(oxolan-3-yl)ethanimine (CID 123431537) is 1-(oxolan-3-yl)ethanimine.
What is the SMILES notation for 1-(oxolan-3-yl)ethanimine?
The canonical SMILES for 1-(oxolan-3-yl)ethanimine is [H]/N=C(\C)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)ethanimine?
The InChIKey is OJPLTABIPBBLTB-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(7)6-2-3-8-4-6/h6-7H,2-4H2,1H3/b7-5+.
What are the key properties of 1-(oxolan-3-yl)ethanimine?
1-(oxolan-3-yl)ethanimine has a molecular weight of 113.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)ethanimine is sourced from PubChem (CID 123431537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).