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

C9H16N2O2 — CID 108910572

IUPACN-[(E)-but-1-enyl]morpholine-4-carboxamide
SMILESCC/C=C/NC(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O2/c1-2-3-4-10-9(12)11-5-7-13-8-6-11/h3-4H,2,5-8H2,1H3,(H,10,12)/b4-3+
InChIKeyJBNJCUWNJKJQCE-ONEGZZNKSA-N
MW184.24 g/mol
LogP0.95
Rot. Bonds2

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

N-[(E)-but-1-enyl]morpholine-4-carboxamide (PubChem CID 108910572) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]morpholine-4-carboxamide
PubChem CID108910572
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[(E)-but-1-enyl]morpholine-4-carboxamide
SMILESCC/C=C/NC(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O2/c1-2-3-4-10-9(12)11-5-7-13-8-6-11/h3-4H,2,5-8H2,1H3,(H,10,12)/b4-3+
InChIKeyJBNJCUWNJKJQCE-ONEGZZNKSA-N
XLogP0.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]morpholine-4-carboxamide?
The IUPAC name of N-[(E)-but-1-enyl]morpholine-4-carboxamide (CID 108910572) is N-[(E)-but-1-enyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(E)-but-1-enyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(E)-but-1-enyl]morpholine-4-carboxamide is CC/C=C/NC(=O)N1CCOCC1.
What is the InChIKey of N-[(E)-but-1-enyl]morpholine-4-carboxamide?
The InChIKey is JBNJCUWNJKJQCE-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-4-10-9(12)11-5-7-13-8-6-11/h3-4H,2,5-8H2,1H3,(H,10,12)/b4-3+.
What are the key properties of N-[(E)-but-1-enyl]morpholine-4-carboxamide?
N-[(E)-but-1-enyl]morpholine-4-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]morpholine-4-carboxamide is sourced from PubChem (CID 108910572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).