1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile

C15H25NO — CID 79130626

IUPAC1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C(C)(O)C2CC2)CC1
InChIInChI=1S/C15H25NO/c1-3-4-12-7-9-15(11-16,10-8-12)14(2,17)13-5-6-13/h12-13,17H,3-10H2,1-2H3
InChIKeyYBJKTKWIPZVGLQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.65
Rot. Bonds4

About 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile

1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 79130626) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
PubChem CID79130626
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C(C)(O)C2CC2)CC1
InChIInChI=1S/C15H25NO/c1-3-4-12-7-9-15(11-16,10-8-12)14(2,17)13-5-6-13/h12-13,17H,3-10H2,1-2H3
InChIKeyYBJKTKWIPZVGLQ-UHFFFAOYSA-N
XLogP3.65
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile (CID 79130626) is 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(C(C)(O)C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is YBJKTKWIPZVGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-12-7-9-15(11-16,10-8-12)14(2,17)13-5-6-13/h12-13,17H,3-10H2,1-2H3.
What are the key properties of 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile?
1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79130626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).