2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol

C9H16N2O — CID 130510530

IUPAC2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol
SMILESOC(C1C=CCN1)C1CCCN1
InChIInChI=1S/C9H16N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h1,3,7-12H,2,4-6H2
InChIKeyBICHEUTZUKPAKR-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.37
Rot. Bonds2

About 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol

2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol (PubChem CID 130510530) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol
PubChem CID130510530
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol
SMILESOC(C1C=CCN1)C1CCCN1
InChIInChI=1S/C9H16N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h1,3,7-12H,2,4-6H2
InChIKeyBICHEUTZUKPAKR-UHFFFAOYSA-N
XLogP-0.37
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol?
The IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol (CID 130510530) is 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol is OC(C1C=CCN1)C1CCCN1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol?
The InChIKey is BICHEUTZUKPAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h1,3,7-12H,2,4-6H2.
What are the key properties of 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol?
2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-2-yl(pyrrolidin-2-yl)methanol is sourced from PubChem (CID 130510530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).