1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one

C21H25NO2 — CID 59799870

IUPAC1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1C(Cc2ccc(O)c3ccccc23)CCN1C1CCCCC1
InChIInChI=1S/C21H25NO2/c23-20-11-10-15(18-8-4-5-9-19(18)20)14-16-12-13-22(21(16)24)17-6-2-1-3-7-17/h4-5,8-11,16-17,23H,1-3,6-7,12-14H2
InChIKeyGQVXUTRSXYBAPC-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.27
Rot. Bonds3

About 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one

1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one (PubChem CID 59799870) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one
PubChem CID59799870
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1C(Cc2ccc(O)c3ccccc23)CCN1C1CCCCC1
InChIInChI=1S/C21H25NO2/c23-20-11-10-15(18-8-4-5-9-19(18)20)14-16-12-13-22(21(16)24)17-6-2-1-3-7-17/h4-5,8-11,16-17,23H,1-3,6-7,12-14H2
InChIKeyGQVXUTRSXYBAPC-UHFFFAOYSA-N
XLogP4.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one (CID 59799870) is 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one is O=C1C(Cc2ccc(O)c3ccccc23)CCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is GQVXUTRSXYBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20-11-10-15(18-8-4-5-9-19(18)20)14-16-12-13-22(21(16)24)17-6-2-1-3-7-17/h4-5,8-11,16-17,23H,1-3,6-7,12-14H2.
What are the key properties of 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one?
1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-hydroxynaphthalen-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 59799870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).