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

C10H17N — CID 19067922

IUPAC5-cyclohexyl-2,3-dihydro-1H-pyrrole
SMILESC1=C(C2CCCCC2)NCC1
InChIInChI=1S/C10H17N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h7,9,11H,1-6,8H2
InChIKeyMQDYFDJRDDUYAL-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.44
Rot. Bonds1

About 5-cyclohexyl-2,3-dihydro-1H-pyrrole

5-cyclohexyl-2,3-dihydro-1H-pyrrole (PubChem CID 19067922) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-cyclohexyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-cyclohexyl-2,3-dihydro-1H-pyrrole
PubChem CID19067922
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-cyclohexyl-2,3-dihydro-1H-pyrrole
SMILESC1=C(C2CCCCC2)NCC1
InChIInChI=1S/C10H17N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h7,9,11H,1-6,8H2
InChIKeyMQDYFDJRDDUYAL-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 5-cyclohexyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-cyclohexyl-2,3-dihydro-1H-pyrrole (CID 19067922) is 5-cyclohexyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-cyclohexyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-cyclohexyl-2,3-dihydro-1H-pyrrole is C1=C(C2CCCCC2)NCC1.
What is the InChIKey of 5-cyclohexyl-2,3-dihydro-1H-pyrrole?
The InChIKey is MQDYFDJRDDUYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h7,9,11H,1-6,8H2.
What are the key properties of 5-cyclohexyl-2,3-dihydro-1H-pyrrole?
5-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 5-cyclohexyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 19067922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).