N-(3-methylbut-2-enyl)morpholine-4-carboxamide

C10H18N2O2 — CID 103520441

IUPACN-(3-methylbut-2-enyl)morpholine-4-carboxamide
SMILESCC(C)=CCNC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-9(2)3-4-11-10(13)12-5-7-14-8-6-12/h3H,4-8H2,1-2H3,(H,11,13)
InChIKeyBCFVFXRMHQVZFL-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.99
Rot. Bonds2

About N-(3-methylbut-2-enyl)morpholine-4-carboxamide

N-(3-methylbut-2-enyl)morpholine-4-carboxamide (PubChem CID 103520441) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)morpholine-4-carboxamide
PubChem CID103520441
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(3-methylbut-2-enyl)morpholine-4-carboxamide
SMILESCC(C)=CCNC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-9(2)3-4-11-10(13)12-5-7-14-8-6-12/h3H,4-8H2,1-2H3,(H,11,13)
InChIKeyBCFVFXRMHQVZFL-UHFFFAOYSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methylbut-2-enyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-methylbut-2-enyl)morpholine-4-carboxamide (CID 103520441) is N-(3-methylbut-2-enyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-methylbut-2-enyl)morpholine-4-carboxamide is CC(C)=CCNC(=O)N1CCOCC1.
What is the InChIKey of N-(3-methylbut-2-enyl)morpholine-4-carboxamide?
The InChIKey is BCFVFXRMHQVZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2)3-4-11-10(13)12-5-7-14-8-6-12/h3H,4-8H2,1-2H3,(H,11,13).
What are the key properties of N-(3-methylbut-2-enyl)morpholine-4-carboxamide?
N-(3-methylbut-2-enyl)morpholine-4-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)morpholine-4-carboxamide is sourced from PubChem (CID 103520441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).