polane;1-prop-2-enoylpyrrolidin-2-one

C7H11NO2Po — CID 173180331

IUPACpolane;1-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)N1CCCC1=O.[PoH2]
InChIInChI=1S/C7H9NO2.Po.2H/c1-2-6(9)8-5-3-4-7(8)10;;;/h2H,1,3-5H2;;;
InChIKeyUNKKMKVVIOCZAB-UHFFFAOYSA-N
MW350.17 g/mol
LogP-0.59
Rot. Bonds1

About polane;1-prop-2-enoylpyrrolidin-2-one

polane;1-prop-2-enoylpyrrolidin-2-one (PubChem CID 173180331) has the molecular formula C7H11NO2Po and a molecular weight of 350.17 g/mol. Its IUPAC name is polane;1-prop-2-enoylpyrrolidin-2-one.

Molecular Properties

Compound Namepolane;1-prop-2-enoylpyrrolidin-2-one
PubChem CID173180331
Molecular FormulaC7H11NO2Po
Molecular Weight350.17 g/mol
Exact Mass350.06
IUPAC Namepolane;1-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)N1CCCC1=O.[PoH2]
InChIInChI=1S/C7H9NO2.Po.2H/c1-2-6(9)8-5-3-4-7(8)10;;;/h2H,1,3-5H2;;;
InChIKeyUNKKMKVVIOCZAB-UHFFFAOYSA-N
XLogP-0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 polane;1-prop-2-enoylpyrrolidin-2-one?
The IUPAC name of polane;1-prop-2-enoylpyrrolidin-2-one (CID 173180331) is polane;1-prop-2-enoylpyrrolidin-2-one.
What is the SMILES notation for polane;1-prop-2-enoylpyrrolidin-2-one?
The canonical SMILES for polane;1-prop-2-enoylpyrrolidin-2-one is C=CC(=O)N1CCCC1=O.[PoH2].
What is the InChIKey of polane;1-prop-2-enoylpyrrolidin-2-one?
The InChIKey is UNKKMKVVIOCZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.Po.2H/c1-2-6(9)8-5-3-4-7(8)10;;;/h2H,1,3-5H2;;;.
What are the key properties of polane;1-prop-2-enoylpyrrolidin-2-one?
polane;1-prop-2-enoylpyrrolidin-2-one has a molecular weight of 350.17 g/mol, XLogP of -0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for polane;1-prop-2-enoylpyrrolidin-2-one is sourced from PubChem (CID 173180331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).