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

C13H29NO — CID 144566525

IUPAC3-[(Z)-but-1-enyl]morpholine;ethane;propane
SMILESCC.CC/C=C\C1COCCN1.CCC
InChIInChI=1S/C8H15NO.C3H8.C2H6/c1-2-3-4-8-7-10-6-5-9-8;1-3-2;1-2/h3-4,8-9H,2,5-7H2,1H3;3H2,1-2H3;1-2H3/b4-3-;;
InChIKeyYXDJKADGRSNXPQ-GSBNXNDCSA-N
MW215.38 g/mol
LogP3.38
Rot. Bonds2

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

3-[(Z)-but-1-enyl]morpholine;ethane;propane (PubChem CID 144566525) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]morpholine;ethane;propane.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]morpholine;ethane;propane
PubChem CID144566525
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-[(Z)-but-1-enyl]morpholine;ethane;propane
SMILESCC.CC/C=C\C1COCCN1.CCC
InChIInChI=1S/C8H15NO.C3H8.C2H6/c1-2-3-4-8-7-10-6-5-9-8;1-3-2;1-2/h3-4,8-9H,2,5-7H2,1H3;3H2,1-2H3;1-2H3/b4-3-;;
InChIKeyYXDJKADGRSNXPQ-GSBNXNDCSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-penten-2-yl)-morpholine
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CID 129795383
4-[(E)-pent-3-en-2-yl]morpholine
CID 5934110
4-[(3E)-hepta-3,6-dien-2-yl]morpholine
CID 12485220
Cyclopentene;morpholine
CID 21499983
3-Vinylmorpholine
CID 23207099
6-Morpholino-1,4-heptadiene
CID 53728819
3-But-2-enylmorpholine
CID 54355890
4-[(E)-hex-3-en-2-yl]morpholine
CID 58339644
2-Pent-2-enylmorpholine
CID 68589738
2-Hex-2-enylmorpholine
CID 68590106

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]morpholine;ethane;propane?
The IUPAC name of 3-[(Z)-but-1-enyl]morpholine;ethane;propane (CID 144566525) is 3-[(Z)-but-1-enyl]morpholine;ethane;propane.
What is the SMILES notation for 3-[(Z)-but-1-enyl]morpholine;ethane;propane?
The canonical SMILES for 3-[(Z)-but-1-enyl]morpholine;ethane;propane is CC.CC/C=C\C1COCCN1.CCC.
What is the InChIKey of 3-[(Z)-but-1-enyl]morpholine;ethane;propane?
The InChIKey is YXDJKADGRSNXPQ-GSBNXNDCSA-N. The full InChI is InChI=1S/C8H15NO.C3H8.C2H6/c1-2-3-4-8-7-10-6-5-9-8;1-3-2;1-2/h3-4,8-9H,2,5-7H2,1H3;3H2,1-2H3;1-2H3/b4-3-;;.
What are the key properties of 3-[(Z)-but-1-enyl]morpholine;ethane;propane?
3-[(Z)-but-1-enyl]morpholine;ethane;propane has a molecular weight of 215.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]morpholine;ethane;propane is sourced from PubChem (CID 144566525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).