2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine

C12H23NO — CID 158017457

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCCC1COC(C)(C)C
InChIInChI=1S/C12H23NO/c1-10(2)13-8-6-7-11(13)9-14-12(3,4)5/h11H,1,6-9H2,2-5H3
InChIKeyVTOWADWAAIONTN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.80
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine

2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine (PubChem CID 158017457) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine
PubChem CID158017457
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCCC1COC(C)(C)C
InChIInChI=1S/C12H23NO/c1-10(2)13-8-6-7-11(13)9-14-12(3,4)5/h11H,1,6-9H2,2-5H3
InChIKeyVTOWADWAAIONTN-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine (CID 158017457) is 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CCCC1COC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine?
The InChIKey is VTOWADWAAIONTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-8-6-7-11(13)9-14-12(3,4)5/h11H,1,6-9H2,2-5H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine?
2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 158017457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).