1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one

C17H25NO — CID 6423085

IUPAC1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C17H25NO/c1-3-4-7-16(18-12-5-6-13-18)17(19)15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3
InChIKeyYOSQVMGMENUCDX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.83
Rot. Bonds6

About 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one

1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one (PubChem CID 6423085) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one
PubChem CID6423085
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C17H25NO/c1-3-4-7-16(18-12-5-6-13-18)17(19)15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3
InChIKeyYOSQVMGMENUCDX-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one (CID 6423085) is 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one is CCCCC(C(=O)c1ccc(C)cc1)N1CCCC1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one?
The InChIKey is YOSQVMGMENUCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-4-7-16(18-12-5-6-13-18)17(19)15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one?
1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 6423085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).