1-(oxan-4-yl)prop-2-en-1-imine

C8H13NO — CID 163243473

IUPAC1-(oxan-4-yl)prop-2-en-1-imine
SMILES[H]/N=C(\C=C)C1CCOCC1
InChIInChI=1S/C8H13NO/c1-2-8(9)7-3-5-10-6-4-7/h2,7,9H,1,3-6H2/b9-8+
InChIKeyQBPYHCHDWFJVSA-CMDGGOBGSA-N
MW139.20 g/mol
LogP1.62
Rot. Bonds2

About 1-(oxan-4-yl)prop-2-en-1-imine

1-(oxan-4-yl)prop-2-en-1-imine (PubChem CID 163243473) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(oxan-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name1-(oxan-4-yl)prop-2-en-1-imine
PubChem CID163243473
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(oxan-4-yl)prop-2-en-1-imine
SMILES[H]/N=C(\C=C)C1CCOCC1
InChIInChI=1S/C8H13NO/c1-2-8(9)7-3-5-10-6-4-7/h2,7,9H,1,3-6H2/b9-8+
InChIKeyQBPYHCHDWFJVSA-CMDGGOBGSA-N
XLogP1.62
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.62
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-(oxan-4-yl)prop-2-en-1-imine?
The IUPAC name of 1-(oxan-4-yl)prop-2-en-1-imine (CID 163243473) is 1-(oxan-4-yl)prop-2-en-1-imine.
What is the SMILES notation for 1-(oxan-4-yl)prop-2-en-1-imine?
The canonical SMILES for 1-(oxan-4-yl)prop-2-en-1-imine is [H]/N=C(\C=C)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)prop-2-en-1-imine?
The InChIKey is QBPYHCHDWFJVSA-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-8(9)7-3-5-10-6-4-7/h2,7,9H,1,3-6H2/b9-8+.
What are the key properties of 1-(oxan-4-yl)prop-2-en-1-imine?
1-(oxan-4-yl)prop-2-en-1-imine has a molecular weight of 139.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 163243473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).