morpholin-4-yl 2-methylpent-2-enoate

C10H17NO3 — CID 56984319

IUPACmorpholin-4-yl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)ON1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-4-9(2)10(12)14-11-5-7-13-8-6-11/h4H,3,5-8H2,1-2H3
InChIKeyOFNYDJYDXIEKRN-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.13
Rot. Bonds3

About morpholin-4-yl 2-methylpent-2-enoate

morpholin-4-yl 2-methylpent-2-enoate (PubChem CID 56984319) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is morpholin-4-yl 2-methylpent-2-enoate.

Molecular Properties

Compound Namemorpholin-4-yl 2-methylpent-2-enoate
PubChem CID56984319
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemorpholin-4-yl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)ON1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-4-9(2)10(12)14-11-5-7-13-8-6-11/h4H,3,5-8H2,1-2H3
InChIKeyOFNYDJYDXIEKRN-UHFFFAOYSA-N
XLogP1.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.13
H-Bond Donors ≤ 50
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 morpholin-4-yl 2-methylpent-2-enoate?
The IUPAC name of morpholin-4-yl 2-methylpent-2-enoate (CID 56984319) is morpholin-4-yl 2-methylpent-2-enoate.
What is the SMILES notation for morpholin-4-yl 2-methylpent-2-enoate?
The canonical SMILES for morpholin-4-yl 2-methylpent-2-enoate is CCC=C(C)C(=O)ON1CCOCC1.
What is the InChIKey of morpholin-4-yl 2-methylpent-2-enoate?
The InChIKey is OFNYDJYDXIEKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-9(2)10(12)14-11-5-7-13-8-6-11/h4H,3,5-8H2,1-2H3.
What are the key properties of morpholin-4-yl 2-methylpent-2-enoate?
morpholin-4-yl 2-methylpent-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl 2-methylpent-2-enoate is sourced from PubChem (CID 56984319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).