2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one

C16H24N2O — CID 60852760

IUPAC2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-10-14(17)16(19)18-12-7-11-15(18)13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12,17H2,1H3
InChIKeyRNYHFIHHHPMTJU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.87
Rot. Bonds5

About 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one

2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one (PubChem CID 60852760) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
PubChem CID60852760
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-10-14(17)16(19)18-12-7-11-15(18)13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12,17H2,1H3
InChIKeyRNYHFIHHHPMTJU-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one (CID 60852760) is 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one is CCCCC(N)C(=O)N1CCCC1c1ccccc1.
What is the InChIKey of 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one?
The InChIKey is RNYHFIHHHPMTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-10-14(17)16(19)18-12-7-11-15(18)13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12,17H2,1H3.
What are the key properties of 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one?
2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 60852760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).