4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one

C23H29NO — CID 57483648

IUPAC4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one
SMILESCCC(=O)C(CC(C)N1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO/c1-3-22(25)23(20-12-6-4-7-13-20,21-14-8-5-9-15-21)18-19(2)24-16-10-11-17-24/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3
InChIKeyLJIUPFDRFKFNJE-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.83
Rot. Bonds7

About 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one

4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one (PubChem CID 57483648) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one.

Molecular Properties

Compound Name4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one
PubChem CID57483648
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one
SMILESCCC(=O)C(CC(C)N1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO/c1-3-22(25)23(20-12-6-4-7-13-20,21-14-8-5-9-15-21)18-19(2)24-16-10-11-17-24/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3
InChIKeyLJIUPFDRFKFNJE-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one?
The IUPAC name of 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one (CID 57483648) is 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one.
What is the SMILES notation for 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one?
The canonical SMILES for 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one is CCC(=O)C(CC(C)N1CCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one?
The InChIKey is LJIUPFDRFKFNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-22(25)23(20-12-6-4-7-13-20,21-14-8-5-9-15-21)18-19(2)24-16-10-11-17-24/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3.
What are the key properties of 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one?
4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one has a molecular weight of 335.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-6-pyrrolidin-1-ylheptan-3-one is sourced from PubChem (CID 57483648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).