1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile

C14H23NO — CID 79128942

IUPAC1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
SMILESCCC1CCCC(O)(C2(C#N)CCC2)CC1
InChIInChI=1S/C14H23NO/c1-2-12-5-3-9-14(16,10-6-12)13(11-15)7-4-8-13/h12,16H,2-10H2,1H3
InChIKeyWMOVVOYWCAYSNH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.40
Rot. Bonds2

About 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile

1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile (PubChem CID 79128942) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
PubChem CID79128942
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
SMILESCCC1CCCC(O)(C2(C#N)CCC2)CC1
InChIInChI=1S/C14H23NO/c1-2-12-5-3-9-14(16,10-6-12)13(11-15)7-4-8-13/h12,16H,2-10H2,1H3
InChIKeyWMOVVOYWCAYSNH-UHFFFAOYSA-N
XLogP3.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
4-ethyl-1-(1-hydroxy-4-propan-2-ylcycloheptyl)cyclohexane-1-carbonitrile
CID 79123865
1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79123861
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
CID 79123843
1-(1-hydroxy-4-propan-2-ylcyclohexyl)cyclobutane-1-carbonitrile
CID 79129220
4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
CID 79130957
1-(4-tert-butyl-1-hydroxycycloheptyl)cycloheptane-1-carbonitrile
CID 79124063
1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
CID 79129448

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile (CID 79128942) is 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile is CCC1CCCC(O)(C2(C#N)CCC2)CC1.
What is the InChIKey of 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile?
The InChIKey is WMOVVOYWCAYSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-12-5-3-9-14(16,10-6-12)13(11-15)7-4-8-13/h12,16H,2-10H2,1H3.
What are the key properties of 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile?
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile has a molecular weight of 221.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 79128942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).