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

C13H16N2O — CID 57002372

IUPAC1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol
SMILESOC(Cc1ccc[nH]1)(c1ccc[nH]1)C1CC1
InChIInChI=1S/C13H16N2O/c16-13(10-5-6-10,12-4-2-8-15-12)9-11-3-1-7-14-11/h1-4,7-8,10,14-16H,5-6,9H2
InChIKeyYISBZEHDZGEDBC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.18
Rot. Bonds4

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

1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol (PubChem CID 57002372) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol
PubChem CID57002372
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol
SMILESOC(Cc1ccc[nH]1)(c1ccc[nH]1)C1CC1
InChIInChI=1S/C13H16N2O/c16-13(10-5-6-10,12-4-2-8-15-12)9-11-3-1-7-14-11/h1-4,7-8,10,14-16H,5-6,9H2
InChIKeyYISBZEHDZGEDBC-UHFFFAOYSA-N
XLogP2.18
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol?
The IUPAC name of 1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol (CID 57002372) is 1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol is OC(Cc1ccc[nH]1)(c1ccc[nH]1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol?
The InChIKey is YISBZEHDZGEDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(10-5-6-10,12-4-2-8-15-12)9-11-3-1-7-14-11/h1-4,7-8,10,14-16H,5-6,9H2.
What are the key properties of 1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol?
1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol has a molecular weight of 216.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 57002372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).