1-adamantyl(1H-pyrrol-2-yl)methanol

C15H21NO — CID 55231566

IUPAC1-adamantyl(1H-pyrrol-2-yl)methanol
SMILESOC(c1ccc[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21NO/c17-14(13-2-1-3-16-13)15-7-10-4-11(8-15)6-12(5-10)9-15/h1-3,10-12,14,16-17H,4-9H2
InChIKeyYBYWVDKVKWKUCI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.26
Rot. Bonds2

About 1-adamantyl(1H-pyrrol-2-yl)methanol

1-adamantyl(1H-pyrrol-2-yl)methanol (PubChem CID 55231566) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-adamantyl(1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name1-adamantyl(1H-pyrrol-2-yl)methanol
PubChem CID55231566
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-adamantyl(1H-pyrrol-2-yl)methanol
SMILESOC(c1ccc[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21NO/c17-14(13-2-1-3-16-13)15-7-10-4-11(8-15)6-12(5-10)9-15/h1-3,10-12,14,16-17H,4-9H2
InChIKeyYBYWVDKVKWKUCI-UHFFFAOYSA-N
XLogP3.26
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-adamantyl(1H-pyrrol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(1H-pyrrol-2-yl)methanol?
The IUPAC name of 1-adamantyl(1H-pyrrol-2-yl)methanol (CID 55231566) is 1-adamantyl(1H-pyrrol-2-yl)methanol.
What is the SMILES notation for 1-adamantyl(1H-pyrrol-2-yl)methanol?
The canonical SMILES for 1-adamantyl(1H-pyrrol-2-yl)methanol is OC(c1ccc[nH]1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(1H-pyrrol-2-yl)methanol?
The InChIKey is YBYWVDKVKWKUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-14(13-2-1-3-16-13)15-7-10-4-11(8-15)6-12(5-10)9-15/h1-3,10-12,14,16-17H,4-9H2.
What are the key properties of 1-adamantyl(1H-pyrrol-2-yl)methanol?
1-adamantyl(1H-pyrrol-2-yl)methanol has a molecular weight of 231.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 55231566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).