N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide

C11H20N2O2 — CID 75519431

IUPACN-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide
SMILESCNC(=O)C1CN(CC=C(C)C)CCO1
InChIInChI=1S/C11H20N2O2/c1-9(2)4-5-13-6-7-15-10(8-13)11(14)12-3/h4,10H,5-8H2,1-3H3,(H,12,14)
InChIKeyAJEZOLRYKFVLDB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds3

About N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide

N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide (PubChem CID 75519431) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide
PubChem CID75519431
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide
SMILESCNC(=O)C1CN(CC=C(C)C)CCO1
InChIInChI=1S/C11H20N2O2/c1-9(2)4-5-13-6-7-15-10(8-13)11(14)12-3/h4,10H,5-8H2,1-3H3,(H,12,14)
InChIKeyAJEZOLRYKFVLDB-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide?
The IUPAC name of N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide (CID 75519431) is N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide?
The canonical SMILES for N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide is CNC(=O)C1CN(CC=C(C)C)CCO1.
What is the InChIKey of N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide?
The InChIKey is AJEZOLRYKFVLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)4-5-13-6-7-15-10(8-13)11(14)12-3/h4,10H,5-8H2,1-3H3,(H,12,14).
What are the key properties of N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide?
N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide is sourced from PubChem (CID 75519431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).