4-cyclohexyl-2,3-dihydro-1H-pyrrole

C10H17N — CID 19068034

IUPAC4-cyclohexyl-2,3-dihydro-1H-pyrrole
SMILESC1=C(C2CCCCC2)CCN1
InChIInChI=1S/C10H17N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h8-9,11H,1-7H2
InChIKeyXELVRZIIFWVIMA-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.44
Rot. Bonds1

About 4-cyclohexyl-2,3-dihydro-1H-pyrrole

4-cyclohexyl-2,3-dihydro-1H-pyrrole (PubChem CID 19068034) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-cyclohexyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-cyclohexyl-2,3-dihydro-1H-pyrrole
PubChem CID19068034
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-cyclohexyl-2,3-dihydro-1H-pyrrole
SMILESC1=C(C2CCCCC2)CCN1
InChIInChI=1S/C10H17N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h8-9,11H,1-7H2
InChIKeyXELVRZIIFWVIMA-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-cyclohexyl-2,3-dihydro-1H-pyrrole (CID 19068034) is 4-cyclohexyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-cyclohexyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-cyclohexyl-2,3-dihydro-1H-pyrrole is C1=C(C2CCCCC2)CCN1.
What is the InChIKey of 4-cyclohexyl-2,3-dihydro-1H-pyrrole?
The InChIKey is XELVRZIIFWVIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h8-9,11H,1-7H2.
What are the key properties of 4-cyclohexyl-2,3-dihydro-1H-pyrrole?
4-cyclohexyl-2,3-dihydro-1H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 19068034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).