11-pyrrol-1-ylundecan-1-ol

C15H27NO — CID 13419699

IUPAC11-pyrrol-1-ylundecan-1-ol
SMILESOCCCCCCCCCCCn1cccc1
InChIInChI=1S/C15H27NO/c17-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13-14,17H,1-8,11-12,15H2
InChIKeyRPELESXKVKMCMU-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.99
Rot. Bonds11

About 11-pyrrol-1-ylundecan-1-ol

11-pyrrol-1-ylundecan-1-ol (PubChem CID 13419699) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 11-pyrrol-1-ylundecan-1-ol.

Molecular Properties

Compound Name11-pyrrol-1-ylundecan-1-ol
PubChem CID13419699
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name11-pyrrol-1-ylundecan-1-ol
SMILESOCCCCCCCCCCCn1cccc1
InChIInChI=1S/C15H27NO/c17-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13-14,17H,1-8,11-12,15H2
InChIKeyRPELESXKVKMCMU-UHFFFAOYSA-N
XLogP3.99
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-pyrrol-1-ylundecan-1-ol?
The IUPAC name of 11-pyrrol-1-ylundecan-1-ol (CID 13419699) is 11-pyrrol-1-ylundecan-1-ol.
What is the SMILES notation for 11-pyrrol-1-ylundecan-1-ol?
The canonical SMILES for 11-pyrrol-1-ylundecan-1-ol is OCCCCCCCCCCCn1cccc1.
What is the InChIKey of 11-pyrrol-1-ylundecan-1-ol?
The InChIKey is RPELESXKVKMCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13-14,17H,1-8,11-12,15H2.
What are the key properties of 11-pyrrol-1-ylundecan-1-ol?
11-pyrrol-1-ylundecan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyrrol-1-ylundecan-1-ol is sourced from PubChem (CID 13419699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).