2-methylhex-2-enamide;morpholine

C11H22N2O2 — CID 70267845

IUPAC2-methylhex-2-enamide;morpholine
SMILESC1COCCN1.CCCC=C(C)C(N)=O
InChIInChI=1S/C7H13NO.C4H9NO/c1-3-4-5-6(2)7(8)9;1-3-6-4-2-5-1/h5H,3-4H2,1-2H3,(H2,8,9);5H,1-4H2
InChIKeyNQDNEJFNJUTNOK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.82
Rot. Bonds3

About 2-methylhex-2-enamide;morpholine

2-methylhex-2-enamide;morpholine (PubChem CID 70267845) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methylhex-2-enamide;morpholine.

Molecular Properties

Compound Name2-methylhex-2-enamide;morpholine
PubChem CID70267845
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methylhex-2-enamide;morpholine
SMILESC1COCCN1.CCCC=C(C)C(N)=O
InChIInChI=1S/C7H13NO.C4H9NO/c1-3-4-5-6(2)7(8)9;1-3-6-4-2-5-1/h5H,3-4H2,1-2H3,(H2,8,9);5H,1-4H2
InChIKeyNQDNEJFNJUTNOK-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.82
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 2-methylhex-2-enamide;morpholine?
The IUPAC name of 2-methylhex-2-enamide;morpholine (CID 70267845) is 2-methylhex-2-enamide;morpholine.
What is the SMILES notation for 2-methylhex-2-enamide;morpholine?
The canonical SMILES for 2-methylhex-2-enamide;morpholine is C1COCCN1.CCCC=C(C)C(N)=O.
What is the InChIKey of 2-methylhex-2-enamide;morpholine?
The InChIKey is NQDNEJFNJUTNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C4H9NO/c1-3-4-5-6(2)7(8)9;1-3-6-4-2-5-1/h5H,3-4H2,1-2H3,(H2,8,9);5H,1-4H2.
What are the key properties of 2-methylhex-2-enamide;morpholine?
2-methylhex-2-enamide;morpholine has a molecular weight of 214.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-2-enamide;morpholine is sourced from PubChem (CID 70267845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).