4-ethenyl-6,6-dimethylazepin-3-ol

C10H13NO — CID 143288855

IUPAC4-ethenyl-6,6-dimethylazepin-3-ol
SMILESC=CC1=CC(C)(C)C=NC=C1O
InChIInChI=1S/C10H13NO/c1-4-8-5-10(2,3)7-11-6-9(8)12/h4-7,12H,1H2,2-3H3
InChIKeyYBKNFWXJTRNKHK-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.61
Rot. Bonds1

About 4-ethenyl-6,6-dimethylazepin-3-ol

4-ethenyl-6,6-dimethylazepin-3-ol (PubChem CID 143288855) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-ethenyl-6,6-dimethylazepin-3-ol.

Molecular Properties

Compound Name4-ethenyl-6,6-dimethylazepin-3-ol
PubChem CID143288855
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-ethenyl-6,6-dimethylazepin-3-ol
SMILESC=CC1=CC(C)(C)C=NC=C1O
InChIInChI=1S/C10H13NO/c1-4-8-5-10(2,3)7-11-6-9(8)12/h4-7,12H,1H2,2-3H3
InChIKeyYBKNFWXJTRNKHK-UHFFFAOYSA-N
XLogP2.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6,6-dimethylazepin-3-ol?
The IUPAC name of 4-ethenyl-6,6-dimethylazepin-3-ol (CID 143288855) is 4-ethenyl-6,6-dimethylazepin-3-ol.
What is the SMILES notation for 4-ethenyl-6,6-dimethylazepin-3-ol?
The canonical SMILES for 4-ethenyl-6,6-dimethylazepin-3-ol is C=CC1=CC(C)(C)C=NC=C1O.
What is the InChIKey of 4-ethenyl-6,6-dimethylazepin-3-ol?
The InChIKey is YBKNFWXJTRNKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-8-5-10(2,3)7-11-6-9(8)12/h4-7,12H,1H2,2-3H3.
What are the key properties of 4-ethenyl-6,6-dimethylazepin-3-ol?
4-ethenyl-6,6-dimethylazepin-3-ol has a molecular weight of 163.22 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6,6-dimethylazepin-3-ol is sourced from PubChem (CID 143288855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).