2-prop-2-enyl(213C)azolidine

C7H13N — CID 173137372

IUPAC2-prop-2-enyl(213C)azolidine
SMILESC=CC[13CH]1CCCN1
InChIInChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2,7-8H,1,3-6H2/i7+1
InChIKeyNVQFTQHETVOVON-CDYZYAPPSA-N
MW112.18 g/mol
LogP1.31
Rot. Bonds2

About 2-prop-2-enyl(213C)azolidine

2-prop-2-enyl(213C)azolidine (PubChem CID 173137372) has the molecular formula C7H13N and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-prop-2-enyl(213C)azolidine.

Molecular Properties

Compound Name2-prop-2-enyl(213C)azolidine
PubChem CID173137372
Molecular FormulaC7H13N
Molecular Weight112.18 g/mol
Exact Mass112.11
IUPAC Name2-prop-2-enyl(213C)azolidine
SMILESC=CC[13CH]1CCCN1
InChIInChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2,7-8H,1,3-6H2/i7+1
InChIKeyNVQFTQHETVOVON-CDYZYAPPSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl(213C)azolidine?
The IUPAC name of 2-prop-2-enyl(213C)azolidine (CID 173137372) is 2-prop-2-enyl(213C)azolidine.
What is the SMILES notation for 2-prop-2-enyl(213C)azolidine?
The canonical SMILES for 2-prop-2-enyl(213C)azolidine is C=CC[13CH]1CCCN1.
What is the InChIKey of 2-prop-2-enyl(213C)azolidine?
The InChIKey is NVQFTQHETVOVON-CDYZYAPPSA-N. The full InChI is InChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2,7-8H,1,3-6H2/i7+1.
What are the key properties of 2-prop-2-enyl(213C)azolidine?
2-prop-2-enyl(213C)azolidine has a molecular weight of 112.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl(213C)azolidine is sourced from PubChem (CID 173137372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).