ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one

C15H27NO — CID 168982127

IUPACethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one
SMILESC=CCCC(=O)N1CCCCC1CC=C.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-5-10-13(15)14-11-7-6-9-12(14)8-4-2;1-2/h3-4,12H,1-2,5-11H2;1-2H3
InChIKeyGEWCMZPVIWZKMV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.94
Rot. Bonds5

About ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one

ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one (PubChem CID 168982127) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one.

Molecular Properties

Compound Nameethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one
PubChem CID168982127
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one
SMILESC=CCCC(=O)N1CCCCC1CC=C.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-5-10-13(15)14-11-7-6-9-12(14)8-4-2;1-2/h3-4,12H,1-2,5-11H2;1-2H3
InChIKeyGEWCMZPVIWZKMV-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one?
The IUPAC name of ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one (CID 168982127) is ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one.
What is the SMILES notation for ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one?
The canonical SMILES for ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one is C=CCCC(=O)N1CCCCC1CC=C.CC.
What is the InChIKey of ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one?
The InChIKey is GEWCMZPVIWZKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-3-5-10-13(15)14-11-7-6-9-12(14)8-4-2;1-2/h3-4,12H,1-2,5-11H2;1-2H3.
What are the key properties of ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one?
ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one is sourced from PubChem (CID 168982127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).