N-but-3-en-2-yl-2-morpholin-2-ylacetamide

C10H18N2O2 — CID 115739634

IUPACN-but-3-en-2-yl-2-morpholin-2-ylacetamide
SMILESC=CC(C)NC(=O)CC1CNCCO1
InChIInChI=1S/C10H18N2O2/c1-3-8(2)12-10(13)6-9-7-11-4-5-14-9/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyMWUMGRQQDWPHQE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.06
Rot. Bonds4

About N-but-3-en-2-yl-2-morpholin-2-ylacetamide

N-but-3-en-2-yl-2-morpholin-2-ylacetamide (PubChem CID 115739634) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-morpholin-2-ylacetamide
PubChem CID115739634
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-but-3-en-2-yl-2-morpholin-2-ylacetamide
SMILESC=CC(C)NC(=O)CC1CNCCO1
InChIInChI=1S/C10H18N2O2/c1-3-8(2)12-10(13)6-9-7-11-4-5-14-9/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyMWUMGRQQDWPHQE-UHFFFAOYSA-N
XLogP0.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
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-but-3-en-2-yl-2-morpholin-2-ylacetamide?
The IUPAC name of N-but-3-en-2-yl-2-morpholin-2-ylacetamide (CID 115739634) is N-but-3-en-2-yl-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-but-3-en-2-yl-2-morpholin-2-ylacetamide?
The canonical SMILES for N-but-3-en-2-yl-2-morpholin-2-ylacetamide is C=CC(C)NC(=O)CC1CNCCO1.
What is the InChIKey of N-but-3-en-2-yl-2-morpholin-2-ylacetamide?
The InChIKey is MWUMGRQQDWPHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-8(2)12-10(13)6-9-7-11-4-5-14-9/h3,8-9,11H,1,4-7H2,2H3,(H,12,13).
What are the key properties of N-but-3-en-2-yl-2-morpholin-2-ylacetamide?
N-but-3-en-2-yl-2-morpholin-2-ylacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-morpholin-2-ylacetamide is sourced from PubChem (CID 115739634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).