1-morpholin-4-ylethanone;prop-1-ene

C9H17NO2 — CID 160992965

IUPAC1-morpholin-4-ylethanone;prop-1-ene
SMILESC=CC.CC(=O)N1CCOCC1
InChIInChI=1S/C6H11NO2.C3H6/c1-6(8)7-2-4-9-5-3-7;1-3-2/h2-5H2,1H3;3H,1H2,2H3
InChIKeyTUWPGSUNWVNCDQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.06
Rot. Bonds

About 1-morpholin-4-ylethanone;prop-1-ene

1-morpholin-4-ylethanone;prop-1-ene (PubChem CID 160992965) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-morpholin-4-ylethanone;prop-1-ene.

Molecular Properties

Compound Name1-morpholin-4-ylethanone;prop-1-ene
PubChem CID160992965
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-morpholin-4-ylethanone;prop-1-ene
SMILESC=CC.CC(=O)N1CCOCC1
InChIInChI=1S/C6H11NO2.C3H6/c1-6(8)7-2-4-9-5-3-7;1-3-2/h2-5H2,1H3;3H,1H2,2H3
InChIKeyTUWPGSUNWVNCDQ-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
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 1-morpholin-4-ylethanone;prop-1-ene?
The IUPAC name of 1-morpholin-4-ylethanone;prop-1-ene (CID 160992965) is 1-morpholin-4-ylethanone;prop-1-ene.
What is the SMILES notation for 1-morpholin-4-ylethanone;prop-1-ene?
The canonical SMILES for 1-morpholin-4-ylethanone;prop-1-ene is C=CC.CC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylethanone;prop-1-ene?
The InChIKey is TUWPGSUNWVNCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C3H6/c1-6(8)7-2-4-9-5-3-7;1-3-2/h2-5H2,1H3;3H,1H2,2H3.
What are the key properties of 1-morpholin-4-ylethanone;prop-1-ene?
1-morpholin-4-ylethanone;prop-1-ene has a molecular weight of 171.24 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylethanone;prop-1-ene is sourced from PubChem (CID 160992965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).