ethane;3-[(Z)-prop-1-enyl]morpholine

C11H25NO — CID 144566527

IUPACethane;3-[(Z)-prop-1-enyl]morpholine
SMILESC/C=C\C1COCCN1.CC.CC
InChIInChI=1S/C7H13NO.2C2H6/c1-2-3-7-6-9-5-4-8-7;2*1-2/h2-3,7-8H,4-6H2,1H3;2*1-2H3/b3-2-;;
InChIKeyJTKIOIVQYNFSJE-BGQPXYRPSA-N
MW187.33 g/mol
LogP2.60
Rot. Bonds1

About ethane;3-[(Z)-prop-1-enyl]morpholine

ethane;3-[(Z)-prop-1-enyl]morpholine (PubChem CID 144566527) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;3-[(Z)-prop-1-enyl]morpholine.

Molecular Properties

Compound Nameethane;3-[(Z)-prop-1-enyl]morpholine
PubChem CID144566527
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;3-[(Z)-prop-1-enyl]morpholine
SMILESC/C=C\C1COCCN1.CC.CC
InChIInChI=1S/C7H13NO.2C2H6/c1-2-3-7-6-9-5-4-8-7;2*1-2/h2-3,7-8H,4-6H2,1H3;2*1-2H3/b3-2-;;
InChIKeyJTKIOIVQYNFSJE-BGQPXYRPSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;3-[(Z)-prop-1-enyl]morpholine?
The IUPAC name of ethane;3-[(Z)-prop-1-enyl]morpholine (CID 144566527) is ethane;3-[(Z)-prop-1-enyl]morpholine.
What is the SMILES notation for ethane;3-[(Z)-prop-1-enyl]morpholine?
The canonical SMILES for ethane;3-[(Z)-prop-1-enyl]morpholine is C/C=C\C1COCCN1.CC.CC.
What is the InChIKey of ethane;3-[(Z)-prop-1-enyl]morpholine?
The InChIKey is JTKIOIVQYNFSJE-BGQPXYRPSA-N. The full InChI is InChI=1S/C7H13NO.2C2H6/c1-2-3-7-6-9-5-4-8-7;2*1-2/h2-3,7-8H,4-6H2,1H3;2*1-2H3/b3-2-;;.
What are the key properties of ethane;3-[(Z)-prop-1-enyl]morpholine?
ethane;3-[(Z)-prop-1-enyl]morpholine has a molecular weight of 187.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(Z)-prop-1-enyl]morpholine is sourced from PubChem (CID 144566527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).