2-adamantyl(1H-pyrrol-3-yl)methanone

C15H19NO — CID 81096549

IUPAC2-adamantyl(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19NO/c17-15(11-1-2-16-8-11)14-12-4-9-3-10(6-12)7-13(14)5-9/h1-2,8-10,12-14,16H,3-7H2
InChIKeyVZKDCVNAMQAIJL-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.27
Rot. Bonds2

About 2-adamantyl(1H-pyrrol-3-yl)methanone

2-adamantyl(1H-pyrrol-3-yl)methanone (PubChem CID 81096549) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-adamantyl(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name2-adamantyl(1H-pyrrol-3-yl)methanone
PubChem CID81096549
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-adamantyl(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19NO/c17-15(11-1-2-16-8-11)14-12-4-9-3-10(6-12)7-13(14)5-9/h1-2,8-10,12-14,16H,3-7H2
InChIKeyVZKDCVNAMQAIJL-UHFFFAOYSA-N
XLogP3.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl(1H-pyrrol-3-yl)methanone?
The IUPAC name of 2-adamantyl(1H-pyrrol-3-yl)methanone (CID 81096549) is 2-adamantyl(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for 2-adamantyl(1H-pyrrol-3-yl)methanone?
The canonical SMILES for 2-adamantyl(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl(1H-pyrrol-3-yl)methanone?
The InChIKey is VZKDCVNAMQAIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(11-1-2-16-8-11)14-12-4-9-3-10(6-12)7-13(14)5-9/h1-2,8-10,12-14,16H,3-7H2.
What are the key properties of 2-adamantyl(1H-pyrrol-3-yl)methanone?
2-adamantyl(1H-pyrrol-3-yl)methanone has a molecular weight of 229.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 81096549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).