6-(1H-pyrrol-2-ylmethyl)undecan-6-ol

C16H29NO — CID 67818955

IUPAC6-(1H-pyrrol-2-ylmethyl)undecan-6-ol
SMILESCCCCCC(O)(CCCCC)Cc1ccc[nH]1
InChIInChI=1S/C16H29NO/c1-3-5-7-11-16(18,12-8-6-4-2)14-15-10-9-13-17-15/h9-10,13,17-18H,3-8,11-12,14H2,1-2H3
InChIKeyGFDBAYFLOWIIIF-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.45
Rot. Bonds10

About 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol

6-(1H-pyrrol-2-ylmethyl)undecan-6-ol (PubChem CID 67818955) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol.

Molecular Properties

Compound Name6-(1H-pyrrol-2-ylmethyl)undecan-6-ol
PubChem CID67818955
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name6-(1H-pyrrol-2-ylmethyl)undecan-6-ol
SMILESCCCCCC(O)(CCCCC)Cc1ccc[nH]1
InChIInChI=1S/C16H29NO/c1-3-5-7-11-16(18,12-8-6-4-2)14-15-10-9-13-17-15/h9-10,13,17-18H,3-8,11-12,14H2,1-2H3
InChIKeyGFDBAYFLOWIIIF-UHFFFAOYSA-N
XLogP4.45
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
8-benzylpentadecan-8-ol
CID 13016086
2-pentyl-1H-azonine
CID 174935963
2-(11-decylhenicosan-11-yl)-1H-pyrrole
CID 173176306
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
ethyl 2,2-difluoro-3-(1H-pyrrol-2-yl)propanoate
CID 165462656
2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
CID 116925231
N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol?
The IUPAC name of 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol (CID 67818955) is 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol.
What is the SMILES notation for 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol?
The canonical SMILES for 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol is CCCCCC(O)(CCCCC)Cc1ccc[nH]1.
What is the InChIKey of 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol?
The InChIKey is GFDBAYFLOWIIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-5-7-11-16(18,12-8-6-4-2)14-15-10-9-13-17-15/h9-10,13,17-18H,3-8,11-12,14H2,1-2H3.
What are the key properties of 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol?
6-(1H-pyrrol-2-ylmethyl)undecan-6-ol has a molecular weight of 251.41 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrol-2-ylmethyl)undecan-6-ol is sourced from PubChem (CID 67818955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).