1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene

C16H29NO — CID 159349569

IUPAC1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene
SMILESC.C.CC1CCN(C)C1=O.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C6H11NO.2CH4/c1-7-3-5-8(2)6-4-7;1-5-3-4-7(2)6(5)8;;/h3-6H,1-2H3;5H,3-4H2,1-2H3;2*1H4
InChIKeyLHDSLHDEGWQEJC-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.06
Rot. Bonds

About 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene

1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene (PubChem CID 159349569) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene.

Molecular Properties

Compound Name1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene
PubChem CID159349569
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene
SMILESC.C.CC1CCN(C)C1=O.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C6H11NO.2CH4/c1-7-3-5-8(2)6-4-7;1-5-3-4-7(2)6(5)8;;/h3-6H,1-2H3;5H,3-4H2,1-2H3;2*1H4
InChIKeyLHDSLHDEGWQEJC-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene?
The IUPAC name of 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene (CID 159349569) is 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene.
What is the SMILES notation for 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene?
The canonical SMILES for 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene is C.C.CC1CCN(C)C1=O.Cc1ccc(C)cc1.
What is the InChIKey of 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene?
The InChIKey is LHDSLHDEGWQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H11NO.2CH4/c1-7-3-5-8(2)6-4-7;1-5-3-4-7(2)6(5)8;;/h3-6H,1-2H3;5H,3-4H2,1-2H3;2*1H4.
What are the key properties of 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene?
1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene has a molecular weight of 251.41 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene is sourced from PubChem (CID 159349569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).