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

C10H19NO — CID 58402788

IUPAC1,5-di(propan-2-yl)pyrrolidin-3-one
SMILESCC(C)C1CC(=O)CN1C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)10-5-9(12)6-11(10)8(3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyCZMFYOHHGFXMFF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.69
Rot. Bonds2

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

1,5-di(propan-2-yl)pyrrolidin-3-one (PubChem CID 58402788) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name1,5-di(propan-2-yl)pyrrolidin-3-one
PubChem CID58402788
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1,5-di(propan-2-yl)pyrrolidin-3-one
SMILESCC(C)C1CC(=O)CN1C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)10-5-9(12)6-11(10)8(3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyCZMFYOHHGFXMFF-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)pyrrolidin-3-one?
The IUPAC name of 1,5-di(propan-2-yl)pyrrolidin-3-one (CID 58402788) is 1,5-di(propan-2-yl)pyrrolidin-3-one.
What is the SMILES notation for 1,5-di(propan-2-yl)pyrrolidin-3-one?
The canonical SMILES for 1,5-di(propan-2-yl)pyrrolidin-3-one is CC(C)C1CC(=O)CN1C(C)C.
What is the InChIKey of 1,5-di(propan-2-yl)pyrrolidin-3-one?
The InChIKey is CZMFYOHHGFXMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)10-5-9(12)6-11(10)8(3)4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 1,5-di(propan-2-yl)pyrrolidin-3-one?
1,5-di(propan-2-yl)pyrrolidin-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)pyrrolidin-3-one is sourced from PubChem (CID 58402788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).