ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide

C11H22N2O2 — CID 172623560

IUPACethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC.CC
InChIInChI=1S/C9H16N2O2.C2H6/c1-8(9(12)10-2)7-11-3-5-13-6-4-11;1-2/h1,3-7H2,2H3,(H,10,12);1-2H3
InChIKeyOCCYSZHYSLCQOM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds3

About ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide

ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 172623560) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Nameethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID172623560
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC.CC
InChIInChI=1S/C9H16N2O2.C2H6/c1-8(9(12)10-2)7-11-3-5-13-6-4-11;1-2/h1,3-7H2,2H3,(H,10,12);1-2H3
InChIKeyOCCYSZHYSLCQOM-UHFFFAOYSA-N
XLogP0.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
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 ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide (CID 172623560) is ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide is C=C(CN1CCOCC1)C(=O)NC.CC.
What is the InChIKey of ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is OCCYSZHYSLCQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.C2H6/c1-8(9(12)10-2)7-11-3-5-13-6-4-11;1-2/h1,3-7H2,2H3,(H,10,12);1-2H3.
What are the key properties of ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide?
ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 172623560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).