6-ethylazecin-3-ol

C11H13NO — CID 89227055

IUPAC6-ethylazecin-3-ol
SMILESCCc1ccccncc(O)cc1
InChIInChI=1S/C11H13NO/c1-2-10-5-3-4-8-12-9-11(13)7-6-10/h3-9,13H,2H2,1H3/b4-3-,5-3+,7-6-,8-4-,10-5+,10-6-,11-7+,11-9-,12-8-,12-9+
InChIKeyZFIFTUMDUNQKFR-GJEUBCQWSA-N
MW175.23 g/mol
LogP2.47
Rot. Bonds1

About 6-ethylazecin-3-ol

6-ethylazecin-3-ol (PubChem CID 89227055) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-ethylazecin-3-ol.

Molecular Properties

Compound Name6-ethylazecin-3-ol
PubChem CID89227055
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-ethylazecin-3-ol
SMILESCCc1ccccncc(O)cc1
InChIInChI=1S/C11H13NO/c1-2-10-5-3-4-8-12-9-11(13)7-6-10/h3-9,13H,2H2,1H3/b4-3-,5-3+,7-6-,8-4-,10-5+,10-6-,11-7+,11-9-,12-8-,12-9+
InChIKeyZFIFTUMDUNQKFR-GJEUBCQWSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-ethylazecin-3-ol?
The IUPAC name of 6-ethylazecin-3-ol (CID 89227055) is 6-ethylazecin-3-ol.
What is the SMILES notation for 6-ethylazecin-3-ol?
The canonical SMILES for 6-ethylazecin-3-ol is CCc1ccccncc(O)cc1.
What is the InChIKey of 6-ethylazecin-3-ol?
The InChIKey is ZFIFTUMDUNQKFR-GJEUBCQWSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-10-5-3-4-8-12-9-11(13)7-6-10/h3-9,13H,2H2,1H3/b4-3-,5-3+,7-6-,8-4-,10-5+,10-6-,11-7+,11-9-,12-8-,12-9+.
What are the key properties of 6-ethylazecin-3-ol?
6-ethylazecin-3-ol has a molecular weight of 175.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylazecin-3-ol is sourced from PubChem (CID 89227055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).