N-(2-methylprop-2-enoyl)morpholine-2-carboxamide

C9H14N2O3 — CID 18961476

IUPACN-(2-methylprop-2-enoyl)morpholine-2-carboxamide
SMILESC=C(C)C(=O)NC(=O)C1CNCCO1
InChIInChI=1S/C9H14N2O3/c1-6(2)8(12)11-9(13)7-5-10-3-4-14-7/h7,10H,1,3-5H2,2H3,(H,11,12,13)
InChIKeyYJDPZPUAWKLCGP-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.81
Rot. Bonds2

About N-(2-methylprop-2-enoyl)morpholine-2-carboxamide

N-(2-methylprop-2-enoyl)morpholine-2-carboxamide (PubChem CID 18961476) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-(2-methylprop-2-enoyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enoyl)morpholine-2-carboxamide
PubChem CID18961476
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-(2-methylprop-2-enoyl)morpholine-2-carboxamide
SMILESC=C(C)C(=O)NC(=O)C1CNCCO1
InChIInChI=1S/C9H14N2O3/c1-6(2)8(12)11-9(13)7-5-10-3-4-14-7/h7,10H,1,3-5H2,2H3,(H,11,12,13)
InChIKeyYJDPZPUAWKLCGP-UHFFFAOYSA-N
XLogP-0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(2-methylprop-2-enoyl)morpholine-2-carboxamide?
The IUPAC name of N-(2-methylprop-2-enoyl)morpholine-2-carboxamide (CID 18961476) is N-(2-methylprop-2-enoyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enoyl)morpholine-2-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enoyl)morpholine-2-carboxamide is C=C(C)C(=O)NC(=O)C1CNCCO1.
What is the InChIKey of N-(2-methylprop-2-enoyl)morpholine-2-carboxamide?
The InChIKey is YJDPZPUAWKLCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(2)8(12)11-9(13)7-5-10-3-4-14-7/h7,10H,1,3-5H2,2H3,(H,11,12,13).
What are the key properties of N-(2-methylprop-2-enoyl)morpholine-2-carboxamide?
N-(2-methylprop-2-enoyl)morpholine-2-carboxamide has a molecular weight of 198.22 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enoyl)morpholine-2-carboxamide is sourced from PubChem (CID 18961476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).