1-butyl-5,5-dimethylpyrrol-2-one

C10H17NO — CID 101154855

IUPAC1-butyl-5,5-dimethylpyrrol-2-one
SMILESCCCCN1C(=O)C=CC1(C)C
InChIInChI=1S/C10H17NO/c1-4-5-8-11-9(12)6-7-10(11,2)3/h6-7H,4-5,8H2,1-3H3
InChIKeyPPNVRGPNKXFBOF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.96
Rot. Bonds3

About 1-butyl-5,5-dimethylpyrrol-2-one

1-butyl-5,5-dimethylpyrrol-2-one (PubChem CID 101154855) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-butyl-5,5-dimethylpyrrol-2-one.

Molecular Properties

Compound Name1-butyl-5,5-dimethylpyrrol-2-one
PubChem CID101154855
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-butyl-5,5-dimethylpyrrol-2-one
SMILESCCCCN1C(=O)C=CC1(C)C
InChIInChI=1S/C10H17NO/c1-4-5-8-11-9(12)6-7-10(11,2)3/h6-7H,4-5,8H2,1-3H3
InChIKeyPPNVRGPNKXFBOF-UHFFFAOYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5,5-dimethylpyrrol-2-one?
The IUPAC name of 1-butyl-5,5-dimethylpyrrol-2-one (CID 101154855) is 1-butyl-5,5-dimethylpyrrol-2-one.
What is the SMILES notation for 1-butyl-5,5-dimethylpyrrol-2-one?
The canonical SMILES for 1-butyl-5,5-dimethylpyrrol-2-one is CCCCN1C(=O)C=CC1(C)C.
What is the InChIKey of 1-butyl-5,5-dimethylpyrrol-2-one?
The InChIKey is PPNVRGPNKXFBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-8-11-9(12)6-7-10(11,2)3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-butyl-5,5-dimethylpyrrol-2-one?
1-butyl-5,5-dimethylpyrrol-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5,5-dimethylpyrrol-2-one is sourced from PubChem (CID 101154855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).