1-phenyl-2-pyrrolidin-1-ylhexan-1-one

C16H23NO — CID 102107923

IUPAC1-phenyl-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H23NO/c1-2-3-11-15(17-12-7-8-13-17)16(18)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyKYIJLDDXQWBNGX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.52
Rot. Bonds6

About 1-phenyl-2-pyrrolidin-1-ylhexan-1-one

1-phenyl-2-pyrrolidin-1-ylhexan-1-one (PubChem CID 102107923) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-1-ylhexan-1-one
PubChem CID102107923
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-phenyl-2-pyrrolidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H23NO/c1-2-3-11-15(17-12-7-8-13-17)16(18)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyKYIJLDDXQWBNGX-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 1-phenyl-2-pyrrolidin-1-ylhexan-1-one (CID 102107923) is 1-phenyl-2-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 1-phenyl-2-pyrrolidin-1-ylhexan-1-one is CCCCC(C(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-1-ylhexan-1-one?
The InChIKey is KYIJLDDXQWBNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-11-15(17-12-7-8-13-17)16(18)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3.
What are the key properties of 1-phenyl-2-pyrrolidin-1-ylhexan-1-one?
1-phenyl-2-pyrrolidin-1-ylhexan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 102107923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).