(2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol

C6H11NO — CID 145214295

IUPAC(2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol
SMILESO[C@@H]1CCC=CCN1
InChIInChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1,3,6-8H,2,4-5H2/t6-/m1/s1
InChIKeyPQPQCXIWAMBKNV-ZCFIWIBFSA-N
MW113.16 g/mol
LogP0.24
Rot. Bonds

About (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol

(2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol (PubChem CID 145214295) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol.

Molecular Properties

Compound Name(2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol
PubChem CID145214295
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol
SMILESO[C@@H]1CCC=CCN1
InChIInChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1,3,6-8H,2,4-5H2/t6-/m1/s1
InChIKeyPQPQCXIWAMBKNV-ZCFIWIBFSA-N
XLogP0.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
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 (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol?
The IUPAC name of (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol (CID 145214295) is (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol.
What is the SMILES notation for (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol?
The canonical SMILES for (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol is O[C@@H]1CCC=CCN1.
What is the InChIKey of (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol?
The InChIKey is PQPQCXIWAMBKNV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1,3,6-8H,2,4-5H2/t6-/m1/s1.
What are the key properties of (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol?
(2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol has a molecular weight of 113.16 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,4,7-tetrahydro-1H-azepin-2-ol is sourced from PubChem (CID 145214295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).