3-butyl-1-tert-butyl-3-ethylpyrrol-2-one

C14H25NO — CID 10878787

IUPAC3-butyl-1-tert-butyl-3-ethylpyrrol-2-one
SMILESCCCCC1(CC)C=CN(C(C)(C)C)C1=O
InChIInChI=1S/C14H25NO/c1-6-8-9-14(7-2)10-11-15(12(14)16)13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyNEMNYQFLPIKNMN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.73
Rot. Bonds4

About 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one

3-butyl-1-tert-butyl-3-ethylpyrrol-2-one (PubChem CID 10878787) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one.

Molecular Properties

Compound Name3-butyl-1-tert-butyl-3-ethylpyrrol-2-one
PubChem CID10878787
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-butyl-1-tert-butyl-3-ethylpyrrol-2-one
SMILESCCCCC1(CC)C=CN(C(C)(C)C)C1=O
InChIInChI=1S/C14H25NO/c1-6-8-9-14(7-2)10-11-15(12(14)16)13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyNEMNYQFLPIKNMN-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one?
The IUPAC name of 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one (CID 10878787) is 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one.
What is the SMILES notation for 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one?
The canonical SMILES for 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one is CCCCC1(CC)C=CN(C(C)(C)C)C1=O.
What is the InChIKey of 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one?
The InChIKey is NEMNYQFLPIKNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-8-9-14(7-2)10-11-15(12(14)16)13(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one?
3-butyl-1-tert-butyl-3-ethylpyrrol-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-tert-butyl-3-ethylpyrrol-2-one is sourced from PubChem (CID 10878787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).