1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one

C8H13NO3 — CID 70047760

IUPAC1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one
SMILESC=CC(=O)C1CN(CO)CCO1
InChIInChI=1S/C8H13NO3/c1-2-7(11)8-5-9(6-10)3-4-12-8/h2,8,10H,1,3-6H2
InChIKeyUOMCKNAEPAGKFR-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.61
Rot. Bonds3

About 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one

1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one (PubChem CID 70047760) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one
PubChem CID70047760
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one
SMILESC=CC(=O)C1CN(CO)CCO1
InChIInChI=1S/C8H13NO3/c1-2-7(11)8-5-9(6-10)3-4-12-8/h2,8,10H,1,3-6H2
InChIKeyUOMCKNAEPAGKFR-UHFFFAOYSA-N
XLogP-0.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one (CID 70047760) is 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one is C=CC(=O)C1CN(CO)CCO1.
What is the InChIKey of 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one?
The InChIKey is UOMCKNAEPAGKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-7(11)8-5-9(6-10)3-4-12-8/h2,8,10H,1,3-6H2.
What are the key properties of 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one?
1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one has a molecular weight of 171.20 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)morpholin-2-yl]prop-2-en-1-one is sourced from PubChem (CID 70047760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).