4-[(E)-prop-1-enyl]morpholine

C7H13NO — CID 637918

IUPAC4-[(E)-prop-1-enyl]morpholine
SMILESC/C=C/N1CCOCC1
InChIInChI=1S/C7H13NO/c1-2-3-8-4-6-9-7-5-8/h2-3H,4-7H2,1H3/b3-2+
InChIKeyWDUAYVHCYGZARQ-NSCUHMNNSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds1

About 4-[(E)-prop-1-enyl]morpholine

4-[(E)-prop-1-enyl]morpholine (PubChem CID 637918) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]morpholine
PubChem CID637918
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-[(E)-prop-1-enyl]morpholine
SMILESC/C=C/N1CCOCC1
InChIInChI=1S/C7H13NO/c1-2-3-8-4-6-9-7-5-8/h2-3H,4-7H2,1H3/b3-2+
InChIKeyWDUAYVHCYGZARQ-NSCUHMNNSA-N
XLogP0.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]morpholine?
The IUPAC name of 4-[(E)-prop-1-enyl]morpholine (CID 637918) is 4-[(E)-prop-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-prop-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-prop-1-enyl]morpholine is C/C=C/N1CCOCC1.
What is the InChIKey of 4-[(E)-prop-1-enyl]morpholine?
The InChIKey is WDUAYVHCYGZARQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-8-4-6-9-7-5-8/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]morpholine?
4-[(E)-prop-1-enyl]morpholine has a molecular weight of 127.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]morpholine is sourced from PubChem (CID 637918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).