2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one

C12H17NO — CID 141439828

IUPAC2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one
SMILESC/C=C/N1C=CC2(CCCCC2)C1=O
InChIInChI=1S/C12H17NO/c1-2-9-13-10-8-12(11(13)14)6-4-3-5-7-12/h2,8-10H,3-7H2,1H3/b9-2+
InChIKeyMIAOVLOZYOCJEB-XNWCZRBMSA-N
MW191.27 g/mol
LogP2.83
Rot. Bonds1

About 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one

2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one (PubChem CID 141439828) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one
PubChem CID141439828
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one
SMILESC/C=C/N1C=CC2(CCCCC2)C1=O
InChIInChI=1S/C12H17NO/c1-2-9-13-10-8-12(11(13)14)6-4-3-5-7-12/h2,8-10H,3-7H2,1H3/b9-2+
InChIKeyMIAOVLOZYOCJEB-XNWCZRBMSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one?
The IUPAC name of 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one (CID 141439828) is 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one?
The canonical SMILES for 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one is C/C=C/N1C=CC2(CCCCC2)C1=O.
What is the InChIKey of 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one?
The InChIKey is MIAOVLOZYOCJEB-XNWCZRBMSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-9-13-10-8-12(11(13)14)6-4-3-5-7-12/h2,8-10H,3-7H2,1H3/b9-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one?
2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-2-azaspiro[4.5]dec-3-en-1-one is sourced from PubChem (CID 141439828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).