methane;1-morpholin-2-ylprop-2-en-1-one

C9H19NO2 — CID 175399464

IUPACmethane;1-morpholin-2-ylprop-2-en-1-one
SMILESC.C.C=CC(=O)C1CNCCO1
InChIInChI=1S/C7H11NO2.2CH4/c1-2-6(9)7-5-8-3-4-10-7;;/h2,7-8H,1,3-5H2;2*1H4
InChIKeyKILOSVUTNHSJGS-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.00
Rot. Bonds2

About methane;1-morpholin-2-ylprop-2-en-1-one

methane;1-morpholin-2-ylprop-2-en-1-one (PubChem CID 175399464) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methane;1-morpholin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Namemethane;1-morpholin-2-ylprop-2-en-1-one
PubChem CID175399464
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethane;1-morpholin-2-ylprop-2-en-1-one
SMILESC.C.C=CC(=O)C1CNCCO1
InChIInChI=1S/C7H11NO2.2CH4/c1-2-6(9)7-5-8-3-4-10-7;;/h2,7-8H,1,3-5H2;2*1H4
InChIKeyKILOSVUTNHSJGS-UHFFFAOYSA-N
XLogP1.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
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 methane;1-morpholin-2-ylprop-2-en-1-one?
The IUPAC name of methane;1-morpholin-2-ylprop-2-en-1-one (CID 175399464) is methane;1-morpholin-2-ylprop-2-en-1-one.
What is the SMILES notation for methane;1-morpholin-2-ylprop-2-en-1-one?
The canonical SMILES for methane;1-morpholin-2-ylprop-2-en-1-one is C.C.C=CC(=O)C1CNCCO1.
What is the InChIKey of methane;1-morpholin-2-ylprop-2-en-1-one?
The InChIKey is KILOSVUTNHSJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.2CH4/c1-2-6(9)7-5-8-3-4-10-7;;/h2,7-8H,1,3-5H2;2*1H4.
What are the key properties of methane;1-morpholin-2-ylprop-2-en-1-one?
methane;1-morpholin-2-ylprop-2-en-1-one has a molecular weight of 173.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-morpholin-2-ylprop-2-en-1-one is sourced from PubChem (CID 175399464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).