1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile

C14H23NO — CID 79130247

IUPAC1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
SMILESCCCC1CCC(O)(C2(C#N)CCC2)CC1
InChIInChI=1S/C14H23NO/c1-2-4-12-5-9-14(16,10-6-12)13(11-15)7-3-8-13/h12,16H,2-10H2,1H3
InChIKeyFGVGMLLAXBDPKN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.40
Rot. Bonds3

About 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile

1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile (PubChem CID 79130247) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
PubChem CID79130247
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
SMILESCCCC1CCC(O)(C2(C#N)CCC2)CC1
InChIInChI=1S/C14H23NO/c1-2-4-12-5-9-14(16,10-6-12)13(11-15)7-3-8-13/h12,16H,2-10H2,1H3
InChIKeyFGVGMLLAXBDPKN-UHFFFAOYSA-N
XLogP3.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79123861
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
1-(4-hydroxyoxepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 79128935
1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile
CID 79126868
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79115116
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1-(1-hydroxy-4-propan-2-ylcyclohexyl)cyclobutane-1-carbonitrile
CID 79129220
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
1-(1-hydroxy-2,3-dimethylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79131967
1-(2-ethyl-1-hydroxycyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79132964

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile (CID 79130247) is 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile is CCCC1CCC(O)(C2(C#N)CCC2)CC1.
What is the InChIKey of 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile?
The InChIKey is FGVGMLLAXBDPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-4-12-5-9-14(16,10-6-12)13(11-15)7-3-8-13/h12,16H,2-10H2,1H3.
What are the key properties of 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile?
1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile has a molecular weight of 221.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 79130247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).