1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol

C9H13NO — CID 57206785

IUPAC1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol
SMILESCC(O)(c1ccc[nH]1)C1CC1
InChIInChI=1S/C9H13NO/c1-9(11,7-4-5-7)8-3-2-6-10-8/h2-3,6-7,10-11H,4-5H2,1H3
InChIKeySAQWGKCTOOAOCH-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.63
Rot. Bonds2

About 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol

1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 57206785) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol
PubChem CID57206785
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol
SMILESCC(O)(c1ccc[nH]1)C1CC1
InChIInChI=1S/C9H13NO/c1-9(11,7-4-5-7)8-3-2-6-10-8/h2-3,6-7,10-11H,4-5H2,1H3
InChIKeySAQWGKCTOOAOCH-UHFFFAOYSA-N
XLogP1.63
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol (CID 57206785) is 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol is CC(O)(c1ccc[nH]1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is SAQWGKCTOOAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(11,7-4-5-7)8-3-2-6-10-8/h2-3,6-7,10-11H,4-5H2,1H3.
What are the key properties of 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol?
1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol has a molecular weight of 151.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 57206785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).