5-pyrrolidin-2-yl-1H-pyrrol-2-ol

C8H12N2O — CID 130002366

IUPAC5-pyrrolidin-2-yl-1H-pyrrol-2-ol
SMILESOc1ccc(C2CCCN2)[nH]1
InChIInChI=1S/C8H12N2O/c11-8-4-3-7(10-8)6-2-1-5-9-6/h3-4,6,9-11H,1-2,5H2
InChIKeyGJCVDBCQHRKTAC-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.14
Rot. Bonds1

About 5-pyrrolidin-2-yl-1H-pyrrol-2-ol

5-pyrrolidin-2-yl-1H-pyrrol-2-ol (PubChem CID 130002366) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-1H-pyrrol-2-ol
PubChem CID130002366
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-pyrrolidin-2-yl-1H-pyrrol-2-ol
SMILESOc1ccc(C2CCCN2)[nH]1
InChIInChI=1S/C8H12N2O/c11-8-4-3-7(10-8)6-2-1-5-9-6/h3-4,6,9-11H,1-2,5H2
InChIKeyGJCVDBCQHRKTAC-UHFFFAOYSA-N
XLogP1.14
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-1H-pyrrol-2-ol?
The IUPAC name of 5-pyrrolidin-2-yl-1H-pyrrol-2-ol (CID 130002366) is 5-pyrrolidin-2-yl-1H-pyrrol-2-ol.
What is the SMILES notation for 5-pyrrolidin-2-yl-1H-pyrrol-2-ol?
The canonical SMILES for 5-pyrrolidin-2-yl-1H-pyrrol-2-ol is Oc1ccc(C2CCCN2)[nH]1.
What is the InChIKey of 5-pyrrolidin-2-yl-1H-pyrrol-2-ol?
The InChIKey is GJCVDBCQHRKTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8-4-3-7(10-8)6-2-1-5-9-6/h3-4,6,9-11H,1-2,5H2.
What are the key properties of 5-pyrrolidin-2-yl-1H-pyrrol-2-ol?
5-pyrrolidin-2-yl-1H-pyrrol-2-ol has a molecular weight of 152.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-1H-pyrrol-2-ol is sourced from PubChem (CID 130002366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).