1-[3-(propan-2-ylamino)cyclobutyl]ethenol

C9H17NO — CID 58404388

IUPAC1-[3-(propan-2-ylamino)cyclobutyl]ethenol
SMILESC=C(O)C1CC(NC(C)C)C1
InChIInChI=1S/C9H17NO/c1-6(2)10-9-4-8(5-9)7(3)11/h6,8-11H,3-5H2,1-2H3
InChIKeyITQQESMNETWDBA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.83
Rot. Bonds3

About 1-[3-(propan-2-ylamino)cyclobutyl]ethenol

1-[3-(propan-2-ylamino)cyclobutyl]ethenol (PubChem CID 58404388) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[3-(propan-2-ylamino)cyclobutyl]ethenol.

Molecular Properties

Compound Name1-[3-(propan-2-ylamino)cyclobutyl]ethenol
PubChem CID58404388
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[3-(propan-2-ylamino)cyclobutyl]ethenol
SMILESC=C(O)C1CC(NC(C)C)C1
InChIInChI=1S/C9H17NO/c1-6(2)10-9-4-8(5-9)7(3)11/h6,8-11H,3-5H2,1-2H3
InChIKeyITQQESMNETWDBA-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(propan-2-ylamino)cyclobutyl]ethenol?
The IUPAC name of 1-[3-(propan-2-ylamino)cyclobutyl]ethenol (CID 58404388) is 1-[3-(propan-2-ylamino)cyclobutyl]ethenol.
What is the SMILES notation for 1-[3-(propan-2-ylamino)cyclobutyl]ethenol?
The canonical SMILES for 1-[3-(propan-2-ylamino)cyclobutyl]ethenol is C=C(O)C1CC(NC(C)C)C1.
What is the InChIKey of 1-[3-(propan-2-ylamino)cyclobutyl]ethenol?
The InChIKey is ITQQESMNETWDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)10-9-4-8(5-9)7(3)11/h6,8-11H,3-5H2,1-2H3.
What are the key properties of 1-[3-(propan-2-ylamino)cyclobutyl]ethenol?
1-[3-(propan-2-ylamino)cyclobutyl]ethenol has a molecular weight of 155.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propan-2-ylamino)cyclobutyl]ethenol is sourced from PubChem (CID 58404388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).