(2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone

C18H21NO2 — CID 141306945

IUPAC(2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)n2cccc2C2CCCCC2)c1
InChIInChI=1S/C18H21NO2/c1-21-16-10-5-9-15(13-16)18(20)19-12-6-11-17(19)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3
InChIKeyMREMHUDLCCZFLV-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.23
Rot. Bonds3

About (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone

(2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 141306945) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone
PubChem CID141306945
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)n2cccc2C2CCCCC2)c1
InChIInChI=1S/C18H21NO2/c1-21-16-10-5-9-15(13-16)18(20)19-12-6-11-17(19)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3
InChIKeyMREMHUDLCCZFLV-UHFFFAOYSA-N
XLogP4.23
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
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(E)-3-cyclohexyl-3-(3-methoxyphenyl)prop-2-enoic acid
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(2-cyclopentylphenyl)-(3-methoxyphenyl)methanone
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(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone (CID 141306945) is (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)n2cccc2C2CCCCC2)c1.
What is the InChIKey of (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is MREMHUDLCCZFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-16-10-5-9-15(13-16)18(20)19-12-6-11-17(19)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3.
What are the key properties of (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone?
(2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 283.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylpyrrol-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 141306945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).