ethane;(E)-6-morpholin-4-ylhex-4-en-3-one

C14H29NO2 — CID 171828452

IUPACethane;(E)-6-morpholin-4-ylhex-4-en-3-one
SMILESCC.CC.CCC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C10H17NO2.2C2H6/c1-2-10(12)4-3-5-11-6-8-13-9-7-11;2*1-2/h3-4H,2,5-9H2,1H3;2*1-2H3/b4-3+;;
InChIKeyAYUFAASDFHQHNA-CZEFNJPISA-N
MW243.39 g/mol
LogP2.91
Rot. Bonds4

About ethane;(E)-6-morpholin-4-ylhex-4-en-3-one

ethane;(E)-6-morpholin-4-ylhex-4-en-3-one (PubChem CID 171828452) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;(E)-6-morpholin-4-ylhex-4-en-3-one.

Molecular Properties

Compound Nameethane;(E)-6-morpholin-4-ylhex-4-en-3-one
PubChem CID171828452
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameethane;(E)-6-morpholin-4-ylhex-4-en-3-one
SMILESCC.CC.CCC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C10H17NO2.2C2H6/c1-2-10(12)4-3-5-11-6-8-13-9-7-11;2*1-2/h3-4H,2,5-9H2,1H3;2*1-2H3/b4-3+;;
InChIKeyAYUFAASDFHQHNA-CZEFNJPISA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-6-morpholin-4-ylhex-4-en-3-one?
The IUPAC name of ethane;(E)-6-morpholin-4-ylhex-4-en-3-one (CID 171828452) is ethane;(E)-6-morpholin-4-ylhex-4-en-3-one.
What is the SMILES notation for ethane;(E)-6-morpholin-4-ylhex-4-en-3-one?
The canonical SMILES for ethane;(E)-6-morpholin-4-ylhex-4-en-3-one is CC.CC.CCC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of ethane;(E)-6-morpholin-4-ylhex-4-en-3-one?
The InChIKey is AYUFAASDFHQHNA-CZEFNJPISA-N. The full InChI is InChI=1S/C10H17NO2.2C2H6/c1-2-10(12)4-3-5-11-6-8-13-9-7-11;2*1-2/h3-4H,2,5-9H2,1H3;2*1-2H3/b4-3+;;.
What are the key properties of ethane;(E)-6-morpholin-4-ylhex-4-en-3-one?
ethane;(E)-6-morpholin-4-ylhex-4-en-3-one has a molecular weight of 243.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-6-morpholin-4-ylhex-4-en-3-one is sourced from PubChem (CID 171828452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).