2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane

C9H15NO — CID 176985951

IUPAC2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane
SMILESC/C=C/N1CC2(CCOC2)C1
InChIInChI=1S/C9H15NO/c1-2-4-10-6-9(7-10)3-5-11-8-9/h2,4H,3,5-8H2,1H3/b4-2+
InChIKeyPPPQUEOPZRSACG-DUXPYHPUSA-N
MW153.22 g/mol
LogP1.24
Rot. Bonds1

About 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane

2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane (PubChem CID 176985951) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane
PubChem CID176985951
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane
SMILESC/C=C/N1CC2(CCOC2)C1
InChIInChI=1S/C9H15NO/c1-2-4-10-6-9(7-10)3-5-11-8-9/h2,4H,3,5-8H2,1H3/b4-2+
InChIKeyPPPQUEOPZRSACG-DUXPYHPUSA-N
XLogP1.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane (CID 176985951) is 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane is C/C=C/N1CC2(CCOC2)C1.
What is the InChIKey of 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is PPPQUEOPZRSACG-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-4-10-6-9(7-10)3-5-11-8-9/h2,4H,3,5-8H2,1H3/b4-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane?
2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 153.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 176985951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).