2-(1H-pyrrol-3-yl)cyclohexan-1-one

C10H13NO — CID 130046280

IUPAC2-(1H-pyrrol-3-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1cc[nH]c1
InChIInChI=1S/C10H13NO/c12-10-4-2-1-3-9(10)8-5-6-11-7-8/h5-7,9,11H,1-4H2
InChIKeyKNNHVHUJPBXWBK-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.24
Rot. Bonds1

About 2-(1H-pyrrol-3-yl)cyclohexan-1-one

2-(1H-pyrrol-3-yl)cyclohexan-1-one (PubChem CID 130046280) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)cyclohexan-1-one
PubChem CID130046280
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-(1H-pyrrol-3-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1cc[nH]c1
InChIInChI=1S/C10H13NO/c12-10-4-2-1-3-9(10)8-5-6-11-7-8/h5-7,9,11H,1-4H2
InChIKeyKNNHVHUJPBXWBK-UHFFFAOYSA-N
XLogP2.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)cyclohexan-1-one?
The IUPAC name of 2-(1H-pyrrol-3-yl)cyclohexan-1-one (CID 130046280) is 2-(1H-pyrrol-3-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1H-pyrrol-3-yl)cyclohexan-1-one is O=C1CCCCC1c1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)cyclohexan-1-one?
The InChIKey is KNNHVHUJPBXWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-10-4-2-1-3-9(10)8-5-6-11-7-8/h5-7,9,11H,1-4H2.
What are the key properties of 2-(1H-pyrrol-3-yl)cyclohexan-1-one?
2-(1H-pyrrol-3-yl)cyclohexan-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)cyclohexan-1-one is sourced from PubChem (CID 130046280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).