1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one

C24H29NO2 — CID 54728533

IUPAC1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)C1C(O)=C(c2ccc3ccccc3c2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C24H29NO2/c1-16(2)22-23(26)21(20-13-12-18-10-6-7-11-19(18)14-20)24(27)25(22)15-17-8-4-3-5-9-17/h6-7,10-14,16-17,22,26H,3-5,8-9,15H2,1-2H3
InChIKeyYOLGLKVVEBTMHH-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.56
Rot. Bonds4

About 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one

1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one (PubChem CID 54728533) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one
PubChem CID54728533
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)C1C(O)=C(c2ccc3ccccc3c2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C24H29NO2/c1-16(2)22-23(26)21(20-13-12-18-10-6-7-11-19(18)14-20)24(27)25(22)15-17-8-4-3-5-9-17/h6-7,10-14,16-17,22,26H,3-5,8-9,15H2,1-2H3
InChIKeyYOLGLKVVEBTMHH-UHFFFAOYSA-N
XLogP5.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one (CID 54728533) is 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one is CC(C)C1C(O)=C(c2ccc3ccccc3c2)C(=O)N1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is YOLGLKVVEBTMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-16(2)22-23(26)21(20-13-12-18-10-6-7-11-19(18)14-20)24(27)25(22)15-17-8-4-3-5-9-17/h6-7,10-14,16-17,22,26H,3-5,8-9,15H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one?
1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 363.50 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-hydroxy-4-naphthalen-2-yl-2-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 54728533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).