N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide

C11H20N2O2 — CID 108914620

IUPACN-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide
SMILESC/C(=C\NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H20N2O2/c1-9(2)10(3)8-12-11(14)13-4-6-15-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,14)/b10-8+
InChIKeyNXLBHWPXUQIVIG-CSKARUKUSA-N
MW212.29 g/mol
LogP1.59
Rot. Bonds2

About N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide

N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide (PubChem CID 108914620) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide
PubChem CID108914620
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide
SMILESC/C(=C\NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H20N2O2/c1-9(2)10(3)8-12-11(14)13-4-6-15-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,14)/b10-8+
InChIKeyNXLBHWPXUQIVIG-CSKARUKUSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-methyl-N-(1-morpholin-4-ylethyl)but-1-en-1-amine
CID 144175208
2,6-dimethyl-N-(2-methylprop-1-enyl)morpholine-4-carboxamide
CID 108909796
N-(2-methylprop-1-enyl)morpholine-4-carboxamide
CID 108909830
1-(2-Methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea
CID 108909881
1-(2-Methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea
CID 108909888
1,1-Bis(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909976
N-[(E)-but-1-enyl]morpholine-4-carboxamide
CID 108910572
2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide
CID 108910910
N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide
CID 108910945
1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea
CID 108910997
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004
1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911092

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide?
The IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide (CID 108914620) is N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide is C/C(=C\NC(=O)N1CCOCC1)C(C)C.
What is the InChIKey of N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide?
The InChIKey is NXLBHWPXUQIVIG-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)10(3)8-12-11(14)13-4-6-15-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,14)/b10-8+.
What are the key properties of N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide?
N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide is sourced from PubChem (CID 108914620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).