2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol

C11H19NO — CID 104550830

IUPAC2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1N1CC=CC1
InChIInChI=1S/C11H19NO/c13-11-7-3-1-2-6-10(11)12-8-4-5-9-12/h4-5,10-11,13H,1-3,6-9H2
InChIKeyRKIYHWYIKAZCSE-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds1

About 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol

2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol (PubChem CID 104550830) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol
PubChem CID104550830
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1N1CC=CC1
InChIInChI=1S/C11H19NO/c13-11-7-3-1-2-6-10(11)12-8-4-5-9-12/h4-5,10-11,13H,1-3,6-9H2
InChIKeyRKIYHWYIKAZCSE-UHFFFAOYSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol?
The IUPAC name of 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol (CID 104550830) is 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol is OC1CCCCCC1N1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol?
The InChIKey is RKIYHWYIKAZCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-7-3-1-2-6-10(11)12-8-4-5-9-12/h4-5,10-11,13H,1-3,6-9H2.
What are the key properties of 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol?
2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-yl)cycloheptan-1-ol is sourced from PubChem (CID 104550830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).