3-cyclohexyl-1H-pyrrole

C10H15N — CID 19067896

IUPAC3-cyclohexyl-1H-pyrrole
SMILESc1cc(C2CCCCC2)c[nH]1
InChIInChI=1S/C10H15N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h6-9,11H,1-5H2
InChIKeyWWYSFYZJQDXMDS-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.06
Rot. Bonds1

About 3-cyclohexyl-1H-pyrrole

3-cyclohexyl-1H-pyrrole (PubChem CID 19067896) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-cyclohexyl-1H-pyrrole.

Molecular Properties

Compound Name3-cyclohexyl-1H-pyrrole
PubChem CID19067896
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-cyclohexyl-1H-pyrrole
SMILESc1cc(C2CCCCC2)c[nH]1
InChIInChI=1S/C10H15N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h6-9,11H,1-5H2
InChIKeyWWYSFYZJQDXMDS-UHFFFAOYSA-N
XLogP3.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1H-pyrrole?
The IUPAC name of 3-cyclohexyl-1H-pyrrole (CID 19067896) is 3-cyclohexyl-1H-pyrrole.
What is the SMILES notation for 3-cyclohexyl-1H-pyrrole?
The canonical SMILES for 3-cyclohexyl-1H-pyrrole is c1cc(C2CCCCC2)c[nH]1.
What is the InChIKey of 3-cyclohexyl-1H-pyrrole?
The InChIKey is WWYSFYZJQDXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h6-9,11H,1-5H2.
What are the key properties of 3-cyclohexyl-1H-pyrrole?
3-cyclohexyl-1H-pyrrole has a molecular weight of 149.24 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1H-pyrrole is sourced from PubChem (CID 19067896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).