1-cycloheptyl-2,5-dihydropyrrole

C11H19N — CID 139880348

IUPAC1-cycloheptyl-2,5-dihydropyrrole
SMILESC1=CCN(C2CCCCCC2)C1
InChIInChI=1S/C11H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h5-6,11H,1-4,7-10H2
InChIKeyQAUOAFSYQDUHTC-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.58
Rot. Bonds1

About 1-cycloheptyl-2,5-dihydropyrrole

1-cycloheptyl-2,5-dihydropyrrole (PubChem CID 139880348) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-cycloheptyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-cycloheptyl-2,5-dihydropyrrole
PubChem CID139880348
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-cycloheptyl-2,5-dihydropyrrole
SMILESC1=CCN(C2CCCCCC2)C1
InChIInChI=1S/C11H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h5-6,11H,1-4,7-10H2
InChIKeyQAUOAFSYQDUHTC-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-cyclohexylazocane
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1-cyclooctylpyrrolidine
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1-cyclooctylpiperidine
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2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol
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1-cyclopropyl-3,6-dihydro-2H-pyridine
CID 45087168
1-cyclohexylpiperidine;methane
CID 143122486
1-cyclohexyl-1,3-diazetidine
CID 20659802
5-cyclohexyl-3-cyclopentyl-1,3,5-thiadiazinane-2-thione
CID 23903414
3,7-dicyclohexyl-1,5,3,7-diselenadiazocane
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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2,5-dihydropyrrole?
The IUPAC name of 1-cycloheptyl-2,5-dihydropyrrole (CID 139880348) is 1-cycloheptyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-cycloheptyl-2,5-dihydropyrrole?
The canonical SMILES for 1-cycloheptyl-2,5-dihydropyrrole is C1=CCN(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-2,5-dihydropyrrole?
The InChIKey is QAUOAFSYQDUHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h5-6,11H,1-4,7-10H2.
What are the key properties of 1-cycloheptyl-2,5-dihydropyrrole?
1-cycloheptyl-2,5-dihydropyrrole has a molecular weight of 165.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2,5-dihydropyrrole is sourced from PubChem (CID 139880348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).