6-propa-1,2-dienylpiperidin-2-one

C8H11NO — CID 13286849

IUPAC6-propa-1,2-dienylpiperidin-2-one
SMILESC=C=CC1CCCC(=O)N1
InChIInChI=1S/C8H11NO/c1-2-4-7-5-3-6-8(10)9-7/h4,7H,1,3,5-6H2,(H,9,10)
InChIKeyNNMYJWTYDPNVCT-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.00
Rot. Bonds1

About 6-propa-1,2-dienylpiperidin-2-one

6-propa-1,2-dienylpiperidin-2-one (PubChem CID 13286849) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6-propa-1,2-dienylpiperidin-2-one.

Molecular Properties

Compound Name6-propa-1,2-dienylpiperidin-2-one
PubChem CID13286849
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6-propa-1,2-dienylpiperidin-2-one
SMILESC=C=CC1CCCC(=O)N1
InChIInChI=1S/C8H11NO/c1-2-4-7-5-3-6-8(10)9-7/h4,7H,1,3,5-6H2,(H,9,10)
InChIKeyNNMYJWTYDPNVCT-UHFFFAOYSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propa-1,2-dienylpiperidin-2-one?
The IUPAC name of 6-propa-1,2-dienylpiperidin-2-one (CID 13286849) is 6-propa-1,2-dienylpiperidin-2-one.
What is the SMILES notation for 6-propa-1,2-dienylpiperidin-2-one?
The canonical SMILES for 6-propa-1,2-dienylpiperidin-2-one is C=C=CC1CCCC(=O)N1.
What is the InChIKey of 6-propa-1,2-dienylpiperidin-2-one?
The InChIKey is NNMYJWTYDPNVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-4-7-5-3-6-8(10)9-7/h4,7H,1,3,5-6H2,(H,9,10).
What are the key properties of 6-propa-1,2-dienylpiperidin-2-one?
6-propa-1,2-dienylpiperidin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propa-1,2-dienylpiperidin-2-one is sourced from PubChem (CID 13286849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).