1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one

C15H28N2O2 — CID 19080527

IUPAC1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one
SMILESCCCCN1CCCC1=O.CCCN1CCCC1=O
InChIInChI=1S/C8H15NO.C7H13NO/c1-2-3-6-9-7-4-5-8(9)10;1-2-5-8-6-3-4-7(8)9/h2-7H2,1H3;2-6H2,1H3
InChIKeyAYNIOXHHCRIZAF-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.43
Rot. Bonds5

About 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one

1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one (PubChem CID 19080527) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one
PubChem CID19080527
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one
SMILESCCCCN1CCCC1=O.CCCN1CCCC1=O
InChIInChI=1S/C8H15NO.C7H13NO/c1-2-3-6-9-7-4-5-8(9)10;1-2-5-8-6-3-4-7(8)9/h2-7H2,1H3;2-6H2,1H3
InChIKeyAYNIOXHHCRIZAF-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one?
The IUPAC name of 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one (CID 19080527) is 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one.
What is the SMILES notation for 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one?
The canonical SMILES for 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one is CCCCN1CCCC1=O.CCCN1CCCC1=O.
What is the InChIKey of 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one?
The InChIKey is AYNIOXHHCRIZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C7H13NO/c1-2-3-6-9-7-4-5-8(9)10;1-2-5-8-6-3-4-7(8)9/h2-7H2,1H3;2-6H2,1H3.
What are the key properties of 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one?
1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidin-2-one;1-propylpyrrolidin-2-one is sourced from PubChem (CID 19080527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).