1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile

C12H19NO — CID 103565491

IUPAC1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile
SMILESCC(C)C1CC(O)(C2(C#N)CCC2)C1
InChIInChI=1S/C12H19NO/c1-9(2)10-6-12(14,7-10)11(8-13)4-3-5-11/h9-10,14H,3-7H2,1-2H3
InChIKeyARIZYDKSBNAYEB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.48
Rot. Bonds2

About 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile

1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile (PubChem CID 103565491) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile
PubChem CID103565491
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile
SMILESCC(C)C1CC(O)(C2(C#N)CCC2)C1
InChIInChI=1S/C12H19NO/c1-9(2)10-6-12(14,7-10)11(8-13)4-3-5-11/h9-10,14H,3-7H2,1-2H3
InChIKeyARIZYDKSBNAYEB-UHFFFAOYSA-N
XLogP2.48
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile (CID 103565491) is 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile is CC(C)C1CC(O)(C2(C#N)CCC2)C1.
What is the InChIKey of 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile?
The InChIKey is ARIZYDKSBNAYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)10-6-12(14,7-10)11(8-13)4-3-5-11/h9-10,14H,3-7H2,1-2H3.
What are the key properties of 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile?
1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 103565491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).