2-methylidenebutanamide;morpholine

C9H18N2O2 — CID 18464086

IUPAC2-methylidenebutanamide;morpholine
SMILESC1COCCN1.C=C(CC)C(N)=O
InChIInChI=1S/C5H9NO.C4H9NO/c1-3-4(2)5(6)7;1-3-6-4-2-5-1/h2-3H2,1H3,(H2,6,7);5H,1-4H2
InChIKeyXJWGZPWIDQMDEL-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.04
Rot. Bonds2

About 2-methylidenebutanamide;morpholine

2-methylidenebutanamide;morpholine (PubChem CID 18464086) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methylidenebutanamide;morpholine.

Molecular Properties

Compound Name2-methylidenebutanamide;morpholine
PubChem CID18464086
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-methylidenebutanamide;morpholine
SMILESC1COCCN1.C=C(CC)C(N)=O
InChIInChI=1S/C5H9NO.C4H9NO/c1-3-4(2)5(6)7;1-3-6-4-2-5-1/h2-3H2,1H3,(H2,6,7);5H,1-4H2
InChIKeyXJWGZPWIDQMDEL-UHFFFAOYSA-N
XLogP0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenebutanamide;morpholine?
The IUPAC name of 2-methylidenebutanamide;morpholine (CID 18464086) is 2-methylidenebutanamide;morpholine.
What is the SMILES notation for 2-methylidenebutanamide;morpholine?
The canonical SMILES for 2-methylidenebutanamide;morpholine is C1COCCN1.C=C(CC)C(N)=O.
What is the InChIKey of 2-methylidenebutanamide;morpholine?
The InChIKey is XJWGZPWIDQMDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H9NO/c1-3-4(2)5(6)7;1-3-6-4-2-5-1/h2-3H2,1H3,(H2,6,7);5H,1-4H2.
What are the key properties of 2-methylidenebutanamide;morpholine?
2-methylidenebutanamide;morpholine has a molecular weight of 186.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutanamide;morpholine is sourced from PubChem (CID 18464086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).