1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol

C17H21NO — CID 57031362

IUPAC1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol
SMILESCC(c1ccccc1)C1(C2(O)CCCC2)C=CC=N1
InChIInChI=1S/C17H21NO/c1-14(15-8-3-2-4-9-15)17(12-7-13-18-17)16(19)10-5-6-11-16/h2-4,7-9,12-14,19H,5-6,10-11H2,1H3
InChIKeyXUZFTGKUFFAZEZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.47
Rot. Bonds3

About 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol

1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol (PubChem CID 57031362) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol
PubChem CID57031362
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol
SMILESCC(c1ccccc1)C1(C2(O)CCCC2)C=CC=N1
InChIInChI=1S/C17H21NO/c1-14(15-8-3-2-4-9-15)17(12-7-13-18-17)16(19)10-5-6-11-16/h2-4,7-9,12-14,19H,5-6,10-11H2,1H3
InChIKeyXUZFTGKUFFAZEZ-UHFFFAOYSA-N
XLogP3.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-Difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 91526392
9-[2-(2-Phenylethyl)pyrrol-2-yl]nonane-1,8-diol
CID 56977286
2-[2-(2-Methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol
CID 57069278
2-(2-Benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol
CID 57111108
2-(2-Methylpyrrol-2-yl)-3-phenylpropan-1-ol
CID 57112217
4-[4-[(2-Pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol
CID 57158642
1-[(2-Benzylpyrrol-2-yl)methyl]cyclohexan-1-ol
CID 57186650
1-(4-Chlorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 90847915
1-(2-Benzylpyrrol-2-yl)cyclohexan-1-ol
CID 90936444
2-[2-(3-Methylphenyl)pyrrol-2-yl]butan-1-ol
CID 91300209

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol (CID 57031362) is 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol is CC(c1ccccc1)C1(C2(O)CCCC2)C=CC=N1.
What is the InChIKey of 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol?
The InChIKey is XUZFTGKUFFAZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(15-8-3-2-4-9-15)17(12-7-13-18-17)16(19)10-5-6-11-16/h2-4,7-9,12-14,19H,5-6,10-11H2,1H3.
What are the key properties of 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol?
1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylethyl)pyrrol-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 57031362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).