ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one

C12H23NO2 — CID 143337984

IUPACethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one
SMILESCC.CC(=O)/C(C)=C(\C)N1CCOCC1
InChIInChI=1S/C10H17NO2.C2H6/c1-8(10(3)12)9(2)11-4-6-13-7-5-11;1-2/h4-7H2,1-3H3;1-2H3/b9-8+;
InChIKeyHRCXWOUYEZXRQR-HRNDJLQDSA-N
MW213.32 g/mol
LogP2.23
Rot. Bonds2

About ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one

ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one (PubChem CID 143337984) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one.

Molecular Properties

Compound Nameethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one
PubChem CID143337984
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one
SMILESCC.CC(=O)/C(C)=C(\C)N1CCOCC1
InChIInChI=1S/C10H17NO2.C2H6/c1-8(10(3)12)9(2)11-4-6-13-7-5-11;1-2/h4-7H2,1-3H3;1-2H3/b9-8+;
InChIKeyHRCXWOUYEZXRQR-HRNDJLQDSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.23
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)-3-methyl-4-morpholin-4-ylpent-3-en-2-one?
The IUPAC name of ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one (CID 143337984) is ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one.
What is the SMILES notation for ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one?
The canonical SMILES for ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one is CC.CC(=O)/C(C)=C(\C)N1CCOCC1.
What is the InChIKey of ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one?
The InChIKey is HRCXWOUYEZXRQR-HRNDJLQDSA-N. The full InChI is InChI=1S/C10H17NO2.C2H6/c1-8(10(3)12)9(2)11-4-6-13-7-5-11;1-2/h4-7H2,1-3H3;1-2H3/b9-8+;.
What are the key properties of ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one?
ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one has a molecular weight of 213.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one is sourced from PubChem (CID 143337984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).