(E)-6-pyrrol-1-ylhex-2-en-1-ol

C10H15NO — CID 11205970

IUPAC(E)-6-pyrrol-1-ylhex-2-en-1-ol
SMILESOC/C=C/CCCn1cccc1
InChIInChI=1S/C10H15NO/c12-10-6-2-1-3-7-11-8-4-5-9-11/h2,4-6,8-9,12H,1,3,7,10H2/b6-2+
InChIKeyOERZHQILRJAFDY-QHHAFSJGSA-N
MW165.24 g/mol
LogP1.82
Rot. Bonds5

About (E)-6-pyrrol-1-ylhex-2-en-1-ol

(E)-6-pyrrol-1-ylhex-2-en-1-ol (PubChem CID 11205970) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (E)-6-pyrrol-1-ylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-6-pyrrol-1-ylhex-2-en-1-ol
PubChem CID11205970
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(E)-6-pyrrol-1-ylhex-2-en-1-ol
SMILESOC/C=C/CCCn1cccc1
InChIInChI=1S/C10H15NO/c12-10-6-2-1-3-7-11-8-4-5-9-11/h2,4-6,8-9,12H,1,3,7,10H2/b6-2+
InChIKeyOERZHQILRJAFDY-QHHAFSJGSA-N
XLogP1.82
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-pyrrol-1-ylhex-2-en-1-ol?
The IUPAC name of (E)-6-pyrrol-1-ylhex-2-en-1-ol (CID 11205970) is (E)-6-pyrrol-1-ylhex-2-en-1-ol.
What is the SMILES notation for (E)-6-pyrrol-1-ylhex-2-en-1-ol?
The canonical SMILES for (E)-6-pyrrol-1-ylhex-2-en-1-ol is OC/C=C/CCCn1cccc1.
What is the InChIKey of (E)-6-pyrrol-1-ylhex-2-en-1-ol?
The InChIKey is OERZHQILRJAFDY-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H15NO/c12-10-6-2-1-3-7-11-8-4-5-9-11/h2,4-6,8-9,12H,1,3,7,10H2/b6-2+.
What are the key properties of (E)-6-pyrrol-1-ylhex-2-en-1-ol?
(E)-6-pyrrol-1-ylhex-2-en-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-pyrrol-1-ylhex-2-en-1-ol is sourced from PubChem (CID 11205970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).