N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide

C11H16N2O3 — CID 69347219

IUPACN-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1COCCN1C(=O)C(=C)C
InChIInChI=1S/C11H16N2O3/c1-4-10(14)12-9-7-16-6-5-13(9)11(15)8(2)3/h4,9H,1-2,5-7H2,3H3,(H,12,14)
InChIKeyMDVSEAVAGXXZSC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds3

About N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide

N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide (PubChem CID 69347219) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide
PubChem CID69347219
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1COCCN1C(=O)C(=C)C
InChIInChI=1S/C11H16N2O3/c1-4-10(14)12-9-7-16-6-5-13(9)11(15)8(2)3/h4,9H,1-2,5-7H2,3H3,(H,12,14)
InChIKeyMDVSEAVAGXXZSC-UHFFFAOYSA-N
XLogP0.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
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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Related Compounds

N-[(Morpholin-4-yl)methyl]prop-2-enamide
CID 22725837
2-Methyl-N-[(morpholin-4-yl)methyl]prop-2-enamide
CID 21536823
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 10330366
N-morpholinomethylacrylamide hydrochloride
CID 129761885
Methacrylamido-4-(2-aminoethyl)morpholine
CID 129855611
1-(Morpholin-4-ylmethyl)-3-prop-2-enylurea
CID 249769
N-(2-methylprop-2-enoyl)morpholine-4-carboxamide
CID 13643647
2-methyl-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 18464091
2-methyl-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 18464096
N-(1-morpholin-4-ylethyl)prop-2-enamide
CID 18539662
N-[1-(3,5-dimethylmorpholin-4-yl)ethyl]prop-2-enamide
CID 19872356
(2-Ethoxy-2-oxoethyl)-dimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
CID 22182854

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide?
The IUPAC name of N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide (CID 69347219) is N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide?
The canonical SMILES for N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide is C=CC(=O)NC1COCCN1C(=O)C(=C)C.
What is the InChIKey of N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide?
The InChIKey is MDVSEAVAGXXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-10(14)12-9-7-16-6-5-13(9)11(15)8(2)3/h4,9H,1-2,5-7H2,3H3,(H,12,14).
What are the key properties of N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide?
N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide has a molecular weight of 224.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylprop-2-enoyl)morpholin-3-yl]prop-2-enamide is sourced from PubChem (CID 69347219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).