2-methylidene-4-morpholin-4-ylbutanamide

C9H16N2O2 — CID 19017357

IUPAC2-methylidene-4-morpholin-4-ylbutanamide
SMILESC=C(CCN1CCOCC1)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-8(9(10)12)2-3-11-4-6-13-7-5-11/h1-7H2,(H2,10,12)
InChIKeyCONOMKIZGIOZBV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.25
Rot. Bonds4

About 2-methylidene-4-morpholin-4-ylbutanamide

2-methylidene-4-morpholin-4-ylbutanamide (PubChem CID 19017357) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methylidene-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name2-methylidene-4-morpholin-4-ylbutanamide
PubChem CID19017357
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-methylidene-4-morpholin-4-ylbutanamide
SMILESC=C(CCN1CCOCC1)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-8(9(10)12)2-3-11-4-6-13-7-5-11/h1-7H2,(H2,10,12)
InChIKeyCONOMKIZGIOZBV-UHFFFAOYSA-N
XLogP-0.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
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-methylidene-4-morpholin-4-ylbutanamide?
The IUPAC name of 2-methylidene-4-morpholin-4-ylbutanamide (CID 19017357) is 2-methylidene-4-morpholin-4-ylbutanamide.
What is the SMILES notation for 2-methylidene-4-morpholin-4-ylbutanamide?
The canonical SMILES for 2-methylidene-4-morpholin-4-ylbutanamide is C=C(CCN1CCOCC1)C(N)=O.
What is the InChIKey of 2-methylidene-4-morpholin-4-ylbutanamide?
The InChIKey is CONOMKIZGIOZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(9(10)12)2-3-11-4-6-13-7-5-11/h1-7H2,(H2,10,12).
What are the key properties of 2-methylidene-4-morpholin-4-ylbutanamide?
2-methylidene-4-morpholin-4-ylbutanamide has a molecular weight of 184.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 19017357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).