1,5-di(propan-2-yl)-3H-pyrrol-2-one

C10H17NO — CID 89447263

IUPAC1,5-di(propan-2-yl)-3H-pyrrol-2-one
SMILESCC(C)C1=CCC(=O)N1C(C)C
InChIInChI=1S/C10H17NO/c1-7(2)9-5-6-10(12)11(9)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyXGQBULRBNQPQBU-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.17
Rot. Bonds2

About 1,5-di(propan-2-yl)-3H-pyrrol-2-one

1,5-di(propan-2-yl)-3H-pyrrol-2-one (PubChem CID 89447263) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)-3H-pyrrol-2-one.

Molecular Properties

Compound Name1,5-di(propan-2-yl)-3H-pyrrol-2-one
PubChem CID89447263
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1,5-di(propan-2-yl)-3H-pyrrol-2-one
SMILESCC(C)C1=CCC(=O)N1C(C)C
InChIInChI=1S/C10H17NO/c1-7(2)9-5-6-10(12)11(9)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyXGQBULRBNQPQBU-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)-3H-pyrrol-2-one?
The IUPAC name of 1,5-di(propan-2-yl)-3H-pyrrol-2-one (CID 89447263) is 1,5-di(propan-2-yl)-3H-pyrrol-2-one.
What is the SMILES notation for 1,5-di(propan-2-yl)-3H-pyrrol-2-one?
The canonical SMILES for 1,5-di(propan-2-yl)-3H-pyrrol-2-one is CC(C)C1=CCC(=O)N1C(C)C.
What is the InChIKey of 1,5-di(propan-2-yl)-3H-pyrrol-2-one?
The InChIKey is XGQBULRBNQPQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)9-5-6-10(12)11(9)8(3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 1,5-di(propan-2-yl)-3H-pyrrol-2-one?
1,5-di(propan-2-yl)-3H-pyrrol-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)-3H-pyrrol-2-one is sourced from PubChem (CID 89447263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).