2-cycloheptyl-2,3-dihydro-1H-pyrrole

C11H19N — CID 19067901

IUPAC2-cycloheptyl-2,3-dihydro-1H-pyrrole
SMILESC1=CNC(C2CCCCCC2)C1
InChIInChI=1S/C11H19N/c1-2-4-7-10(6-3-1)11-8-5-9-12-11/h5,9-12H,1-4,6-8H2
InChIKeyPOEXWSNVXCXMPP-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.83
Rot. Bonds1

About 2-cycloheptyl-2,3-dihydro-1H-pyrrole

2-cycloheptyl-2,3-dihydro-1H-pyrrole (PubChem CID 19067901) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-cycloheptyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-cycloheptyl-2,3-dihydro-1H-pyrrole
PubChem CID19067901
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-cycloheptyl-2,3-dihydro-1H-pyrrole
SMILESC1=CNC(C2CCCCCC2)C1
InChIInChI=1S/C11H19N/c1-2-4-7-10(6-3-1)11-8-5-9-12-11/h5,9-12H,1-4,6-8H2
InChIKeyPOEXWSNVXCXMPP-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2-cycloheptyl-2,3-dihydro-1H-pyrrole (CID 19067901) is 2-cycloheptyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2-cycloheptyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2-cycloheptyl-2,3-dihydro-1H-pyrrole is C1=CNC(C2CCCCCC2)C1.
What is the InChIKey of 2-cycloheptyl-2,3-dihydro-1H-pyrrole?
The InChIKey is POEXWSNVXCXMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-4-7-10(6-3-1)11-8-5-9-12-11/h5,9-12H,1-4,6-8H2.
What are the key properties of 2-cycloheptyl-2,3-dihydro-1H-pyrrole?
2-cycloheptyl-2,3-dihydro-1H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 19067901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).