1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate

C16H25NO5 — CID 174809391

IUPAC1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCO1.C=CC(=O)C1CNCCO1
InChIInChI=1S/C9H14O3.C7H11NO2/c1-7(2)9(10)12-6-8-4-3-5-11-8;1-2-6(9)7-5-8-3-4-10-7/h8H,1,3-6H2,2H3;2,7-8H,1,3-5H2
InChIKeyMQSTZGXOOXWJTO-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.01
Rot. Bonds5

About 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate

1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 174809391) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate
PubChem CID174809391
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCO1.C=CC(=O)C1CNCCO1
InChIInChI=1S/C9H14O3.C7H11NO2/c1-7(2)9(10)12-6-8-4-3-5-11-8;1-2-6(9)7-5-8-3-4-10-7/h8H,1,3-6H2,2H3;2,7-8H,1,3-5H2
InChIKeyMQSTZGXOOXWJTO-UHFFFAOYSA-N
XLogP1.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one
CID 23164285
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
1-morpholin-4-ylethanone;1-morpholin-2-ylprop-2-en-1-one
CID 175463061
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 70019824
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
oxolan-2-ylmethyl 2-iodoprop-2-enoate
CID 71551537
N-methyl-N-(oxolan-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 119708798
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate (CID 174809391) is 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCCO1.C=CC(=O)C1CNCCO1.
What is the InChIKey of 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is MQSTZGXOOXWJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3.C7H11NO2/c1-7(2)9(10)12-6-8-4-3-5-11-8;1-2-6(9)7-5-8-3-4-10-7/h8H,1,3-6H2,2H3;2,7-8H,1,3-5H2.
What are the key properties of 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate?
1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 311.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 174809391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).