2-methylpropan-2-ol;pyrrolidin-2-one

C8H17NO2 — CID 174822551

IUPAC2-methylpropan-2-ol;pyrrolidin-2-one
SMILESCC(C)(C)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H10O/c6-4-2-1-3-5-4;1-4(2,3)5/h1-3H2,(H,5,6);5H,1-3H3
InChIKeySTTYXFUMOBGALL-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.67
Rot. Bonds

About 2-methylpropan-2-ol;pyrrolidin-2-one

2-methylpropan-2-ol;pyrrolidin-2-one (PubChem CID 174822551) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methylpropan-2-ol;pyrrolidin-2-one.

Molecular Properties

Compound Name2-methylpropan-2-ol;pyrrolidin-2-one
PubChem CID174822551
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-methylpropan-2-ol;pyrrolidin-2-one
SMILESCC(C)(C)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H10O/c6-4-2-1-3-5-4;1-4(2,3)5/h1-3H2,(H,5,6);5H,1-3H3
InChIKeySTTYXFUMOBGALL-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-ol;pyrrolidin-2-one?
The IUPAC name of 2-methylpropan-2-ol;pyrrolidin-2-one (CID 174822551) is 2-methylpropan-2-ol;pyrrolidin-2-one.
What is the SMILES notation for 2-methylpropan-2-ol;pyrrolidin-2-one?
The canonical SMILES for 2-methylpropan-2-ol;pyrrolidin-2-one is CC(C)(C)O.O=C1CCCN1.
What is the InChIKey of 2-methylpropan-2-ol;pyrrolidin-2-one?
The InChIKey is STTYXFUMOBGALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H10O/c6-4-2-1-3-5-4;1-4(2,3)5/h1-3H2,(H,5,6);5H,1-3H3.
What are the key properties of 2-methylpropan-2-ol;pyrrolidin-2-one?
2-methylpropan-2-ol;pyrrolidin-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-ol;pyrrolidin-2-one is sourced from PubChem (CID 174822551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).