(2R)-2-propan-2-yloxolan-3-imine

C7H13NO — CID 170585088

IUPAC(2R)-2-propan-2-yloxolan-3-imine
SMILES[H]/N=C1\CCO[C@@H]1C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)7-6(8)3-4-9-7/h5,7-8H,3-4H2,1-2H3/b8-6+/t7-/m1/s1
InChIKeyWMCYJAZORBGHGB-UQBZRGDZSA-N
MW127.19 g/mol
LogP1.45
Rot. Bonds1

About (2R)-2-propan-2-yloxolan-3-imine

(2R)-2-propan-2-yloxolan-3-imine (PubChem CID 170585088) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2R)-2-propan-2-yloxolan-3-imine.

Molecular Properties

Compound Name(2R)-2-propan-2-yloxolan-3-imine
PubChem CID170585088
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2R)-2-propan-2-yloxolan-3-imine
SMILES[H]/N=C1\CCO[C@@H]1C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)7-6(8)3-4-9-7/h5,7-8H,3-4H2,1-2H3/b8-6+/t7-/m1/s1
InChIKeyWMCYJAZORBGHGB-UQBZRGDZSA-N
XLogP1.45
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
CID 57722183
1-[(2R,5S)-2-ethyl-5-tritiooxolan-3-yl]ethanimine
CID 89172437
2-Methyl-1-(3-methyloxiran-2-yl)propan-1-imine
CID 123629850
1-(5-Methyloxolan-2-yl)ethanimine
CID 141978048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-yloxolan-3-imine?
The IUPAC name of (2R)-2-propan-2-yloxolan-3-imine (CID 170585088) is (2R)-2-propan-2-yloxolan-3-imine.
What is the SMILES notation for (2R)-2-propan-2-yloxolan-3-imine?
The canonical SMILES for (2R)-2-propan-2-yloxolan-3-imine is [H]/N=C1\CCO[C@@H]1C(C)C.
What is the InChIKey of (2R)-2-propan-2-yloxolan-3-imine?
The InChIKey is WMCYJAZORBGHGB-UQBZRGDZSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-6(8)3-4-9-7/h5,7-8H,3-4H2,1-2H3/b8-6+/t7-/m1/s1.
What are the key properties of (2R)-2-propan-2-yloxolan-3-imine?
(2R)-2-propan-2-yloxolan-3-imine has a molecular weight of 127.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-yloxolan-3-imine is sourced from PubChem (CID 170585088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).