(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol

C8H15NO — CID 130942723

IUPAC(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol
SMILESCCC[C@@H](O)[C@@H]1C=CCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5,7-10H,2,4,6H2,1H3/t7-,8+/m0/s1
InChIKeyIFGUHXFQPKFBRU-JGVFFNPUSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds3

About (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol

(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol (PubChem CID 130942723) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol
PubChem CID130942723
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol
SMILESCCC[C@@H](O)[C@@H]1C=CCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5,7-10H,2,4,6H2,1H3/t7-,8+/m0/s1
InChIKeyIFGUHXFQPKFBRU-JGVFFNPUSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
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 (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol?
The IUPAC name of (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol (CID 130942723) is (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol.
What is the SMILES notation for (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol?
The canonical SMILES for (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol is CCC[C@@H](O)[C@@H]1C=CCN1.
What is the InChIKey of (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol?
The InChIKey is IFGUHXFQPKFBRU-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5,7-10H,2,4,6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol?
(1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]butan-1-ol is sourced from PubChem (CID 130942723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).