1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one

C10H17NO — CID 166932430

IUPAC1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one
SMILESCC1=C(C)C(C(C)C)N(C)C1=O
InChIInChI=1S/C10H17NO/c1-6(2)9-7(3)8(4)10(12)11(9)5/h6,9H,1-5H3
InChIKeyKOUPUTPSRLFUQF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds1

About 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one

1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one (PubChem CID 166932430) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one
PubChem CID166932430
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one
SMILESCC1=C(C)C(C(C)C)N(C)C1=O
InChIInChI=1S/C10H17NO/c1-6(2)9-7(3)8(4)10(12)11(9)5/h6,9H,1-5H3
InChIKeyKOUPUTPSRLFUQF-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one (CID 166932430) is 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one is CC1=C(C)C(C(C)C)N(C)C1=O.
What is the InChIKey of 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is KOUPUTPSRLFUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6(2)9-7(3)8(4)10(12)11(9)5/h6,9H,1-5H3.
What are the key properties of 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one?
1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 167.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 166932430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).