4-ethenyl-1-propan-2-ylazepan-4-ol

C11H21NO — CID 65416708

IUPAC4-ethenyl-1-propan-2-ylazepan-4-ol
SMILESC=CC1(O)CCCN(C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-4-11(13)6-5-8-12(9-7-11)10(2)3/h4,10,13H,1,5-9H2,2-3H3
InChIKeyAJRJHJQOLMDAGA-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds2

About 4-ethenyl-1-propan-2-ylazepan-4-ol

4-ethenyl-1-propan-2-ylazepan-4-ol (PubChem CID 65416708) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-ethenyl-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-ethenyl-1-propan-2-ylazepan-4-ol
PubChem CID65416708
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-ethenyl-1-propan-2-ylazepan-4-ol
SMILESC=CC1(O)CCCN(C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-4-11(13)6-5-8-12(9-7-11)10(2)3/h4,10,13H,1,5-9H2,2-3H3
InChIKeyAJRJHJQOLMDAGA-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
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 4-ethenyl-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-ethenyl-1-propan-2-ylazepan-4-ol (CID 65416708) is 4-ethenyl-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-ethenyl-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-ethenyl-1-propan-2-ylazepan-4-ol is C=CC1(O)CCCN(C(C)C)CC1.
What is the InChIKey of 4-ethenyl-1-propan-2-ylazepan-4-ol?
The InChIKey is AJRJHJQOLMDAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(13)6-5-8-12(9-7-11)10(2)3/h4,10,13H,1,5-9H2,2-3H3.
What are the key properties of 4-ethenyl-1-propan-2-ylazepan-4-ol?
4-ethenyl-1-propan-2-ylazepan-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 65416708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).