N-methylprop-2-enamide;morpholine

C8H16N2O2 — CID 67025590

IUPACN-methylprop-2-enamide;morpholine
SMILESC1COCCN1.C=CC(=O)NC
InChIInChI=1S/C4H9NO.C4H7NO/c1-3-6-4-2-5-1;1-3-4(6)5-2/h5H,1-4H2;3H,1H2,2H3,(H,5,6)
InChIKeyBGVDQYDHTZXWLN-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.48
Rot. Bonds1

About N-methylprop-2-enamide;morpholine

N-methylprop-2-enamide;morpholine (PubChem CID 67025590) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-methylprop-2-enamide;morpholine.

Molecular Properties

Compound NameN-methylprop-2-enamide;morpholine
PubChem CID67025590
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-methylprop-2-enamide;morpholine
SMILESC1COCCN1.C=CC(=O)NC
InChIInChI=1S/C4H9NO.C4H7NO/c1-3-6-4-2-5-1;1-3-4(6)5-2/h5H,1-4H2;3H,1H2,2H3,(H,5,6)
InChIKeyBGVDQYDHTZXWLN-UHFFFAOYSA-N
XLogP-0.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
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 N-methylprop-2-enamide;morpholine?
The IUPAC name of N-methylprop-2-enamide;morpholine (CID 67025590) is N-methylprop-2-enamide;morpholine.
What is the SMILES notation for N-methylprop-2-enamide;morpholine?
The canonical SMILES for N-methylprop-2-enamide;morpholine is C1COCCN1.C=CC(=O)NC.
What is the InChIKey of N-methylprop-2-enamide;morpholine?
The InChIKey is BGVDQYDHTZXWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H7NO/c1-3-6-4-2-5-1;1-3-4(6)5-2/h5H,1-4H2;3H,1H2,2H3,(H,5,6).
What are the key properties of N-methylprop-2-enamide;morpholine?
N-methylprop-2-enamide;morpholine has a molecular weight of 172.23 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-enamide;morpholine is sourced from PubChem (CID 67025590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).