azane;ethenyl acetate;1-ethenylpyrrolidin-2-one

C10H18N2O3 — CID 172909616

IUPACazane;ethenyl acetate;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.C=COC(C)=O.N
InChIInChI=1S/C6H9NO.C4H6O2.H3N/c1-2-7-5-3-4-6(7)8;1-3-6-4(2)5;/h2H,1,3-5H2;3H,1H2,2H3;1H3
InChIKeyBRBFRMZUVFHAEP-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.61
Rot. Bonds2

About azane;ethenyl acetate;1-ethenylpyrrolidin-2-one

azane;ethenyl acetate;1-ethenylpyrrolidin-2-one (PubChem CID 172909616) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is azane;ethenyl acetate;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Nameazane;ethenyl acetate;1-ethenylpyrrolidin-2-one
PubChem CID172909616
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameazane;ethenyl acetate;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.C=COC(C)=O.N
InChIInChI=1S/C6H9NO.C4H6O2.H3N/c1-2-7-5-3-4-6(7)8;1-3-6-4(2)5;/h2H,1,3-5H2;3H,1H2,2H3;1H3
InChIKeyBRBFRMZUVFHAEP-UHFFFAOYSA-N
XLogP1.61
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze azane;ethenyl acetate;1-ethenylpyrrolidin-2-one 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 azane;ethenyl acetate;1-ethenylpyrrolidin-2-one?
The IUPAC name of azane;ethenyl acetate;1-ethenylpyrrolidin-2-one (CID 172909616) is azane;ethenyl acetate;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for azane;ethenyl acetate;1-ethenylpyrrolidin-2-one?
The canonical SMILES for azane;ethenyl acetate;1-ethenylpyrrolidin-2-one is C=CN1CCCC1=O.C=COC(C)=O.N.
What is the InChIKey of azane;ethenyl acetate;1-ethenylpyrrolidin-2-one?
The InChIKey is BRBFRMZUVFHAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H6O2.H3N/c1-2-7-5-3-4-6(7)8;1-3-6-4(2)5;/h2H,1,3-5H2;3H,1H2,2H3;1H3.
What are the key properties of azane;ethenyl acetate;1-ethenylpyrrolidin-2-one?
azane;ethenyl acetate;1-ethenylpyrrolidin-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethenyl acetate;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 172909616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).