2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol

C12H15NO — CID 70271257

IUPAC2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol
SMILESOCC(c1ccccc1)[C@H]1C=CCN1
InChIInChI=1S/C12H15NO/c14-9-11(12-7-4-8-13-12)10-5-2-1-3-6-10/h1-7,11-14H,8-9H2/t11?,12-/m1/s1
InChIKeyDDXPBNOPWUSRDS-PIJUOVFKSA-N
MW189.26 g/mol
LogP1.29
Rot. Bonds3

About 2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol

2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol (PubChem CID 70271257) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol.

Molecular Properties

Compound Name2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol
PubChem CID70271257
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol
SMILESOCC(c1ccccc1)[C@H]1C=CCN1
InChIInChI=1S/C12H15NO/c14-9-11(12-7-4-8-13-12)10-5-2-1-3-6-10/h1-7,11-14H,8-9H2/t11?,12-/m1/s1
InChIKeyDDXPBNOPWUSRDS-PIJUOVFKSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol?
The IUPAC name of 2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol (CID 70271257) is 2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol.
What is the SMILES notation for 2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol?
The canonical SMILES for 2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol is OCC(c1ccccc1)[C@H]1C=CCN1.
What is the InChIKey of 2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol?
The InChIKey is DDXPBNOPWUSRDS-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H15NO/c14-9-11(12-7-4-8-13-12)10-5-2-1-3-6-10/h1-7,11-14H,8-9H2/t11?,12-/m1/s1.
What are the key properties of 2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol?
2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol has a molecular weight of 189.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2,5-dihydro-1H-pyrrol-2-yl]-2-phenylethanol is sourced from PubChem (CID 70271257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).