N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide

C10H18N2O2 — CID 108910945

IUPACN-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide
SMILESCC(C)/C=C/NC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-9(2)3-4-11-10(13)12-5-7-14-8-6-12/h3-4,9H,5-8H2,1-2H3,(H,11,13)/b4-3+
InChIKeyCPYJYOCDFLASFZ-ONEGZZNKSA-N
MW198.27 g/mol
LogP1.20
Rot. Bonds2

About N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide

N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide (PubChem CID 108910945) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide
PubChem CID108910945
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide
SMILESCC(C)/C=C/NC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-9(2)3-4-11-10(13)12-5-7-14-8-6-12/h3-4,9H,5-8H2,1-2H3,(H,11,13)/b4-3+
InChIKeyCPYJYOCDFLASFZ-ONEGZZNKSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide?
The IUPAC name of N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide (CID 108910945) is N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide is CC(C)/C=C/NC(=O)N1CCOCC1.
What is the InChIKey of N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide?
The InChIKey is CPYJYOCDFLASFZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2)3-4-11-10(13)12-5-7-14-8-6-12/h3-4,9H,5-8H2,1-2H3,(H,11,13)/b4-3+.
What are the key properties of N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide?
N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide is sourced from PubChem (CID 108910945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).