1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one

C12H23NO2 — CID 67807410

IUPAC1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one
SMILESCC(C)OCCC1CCN(C(C)C)C1=O
InChIInChI=1S/C12H23NO2/c1-9(2)13-7-5-11(12(13)14)6-8-15-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyBKBVWQLNPMCOJK-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds5

About 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one

1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one (PubChem CID 67807410) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one
PubChem CID67807410
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one
SMILESCC(C)OCCC1CCN(C(C)C)C1=O
InChIInChI=1S/C12H23NO2/c1-9(2)13-7-5-11(12(13)14)6-8-15-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyBKBVWQLNPMCOJK-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one (CID 67807410) is 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one is CC(C)OCCC1CCN(C(C)C)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
The InChIKey is BKBVWQLNPMCOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)13-7-5-11(12(13)14)6-8-15-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(2-propan-2-yloxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 67807410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).