1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol

C15H19NO — CID 79106970

IUPAC1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(CCCc2ccccc2)c1
InChIInChI=1S/C15H19NO/c1-13(17)15-9-11-16(12-15)10-5-8-14-6-3-2-4-7-14/h2-4,6-7,9,11-13,17H,5,8,10H2,1H3
InChIKeyZERGCCBDUHIZJY-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.17
Rot. Bonds5

About 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol

1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol (PubChem CID 79106970) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol
PubChem CID79106970
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(CCCc2ccccc2)c1
InChIInChI=1S/C15H19NO/c1-13(17)15-9-11-16(12-15)10-5-8-14-6-3-2-4-7-14/h2-4,6-7,9,11-13,17H,5,8,10H2,1H3
InChIKeyZERGCCBDUHIZJY-UHFFFAOYSA-N
XLogP3.17
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol (CID 79106970) is 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol is CC(O)c1ccn(CCCc2ccccc2)c1.
What is the InChIKey of 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol?
The InChIKey is ZERGCCBDUHIZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-13(17)15-9-11-16(12-15)10-5-8-14-6-3-2-4-7-14/h2-4,6-7,9,11-13,17H,5,8,10H2,1H3.
What are the key properties of 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol?
1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol has a molecular weight of 229.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol is sourced from PubChem (CID 79106970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).