1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile

C13H21NO — CID 79129448

IUPAC1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C2(O)CCCCCC2)CCCC1
InChIInChI=1S/C13H21NO/c14-11-12(7-5-6-8-12)13(15)9-3-1-2-4-10-13/h15H,1-10H2
InChIKeyFSMPSRASRRCSME-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.16
Rot. Bonds1

About 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile

1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile (PubChem CID 79129448) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
PubChem CID79129448
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C2(O)CCCCCC2)CCCC1
InChIInChI=1S/C13H21NO/c14-11-12(7-5-6-8-12)13(15)9-3-1-2-4-10-13/h15H,1-10H2
InChIKeyFSMPSRASRRCSME-UHFFFAOYSA-N
XLogP3.16
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxypiperidin-4-yl)cyclooctane-1-carbonitrile
CID 80603343
1-(4-hydroxyazepan-4-yl)cycloheptane-1-carbonitrile
CID 103983054
1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile
CID 80603437
1-(4-tert-butyl-1-hydroxycycloheptyl)cycloheptane-1-carbonitrile
CID 79124063
1-(1-hydroxy-2,2-dimethylcyclohexyl)cycloheptane-1-carbonitrile
CID 79852706
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile
CID 79118405
1-(3-hydroxy-1,1-dioxothiolan-3-yl)cycloheptane-1-carbonitrile
CID 79131134
3-(1-hydroxycycloheptyl)-1,1-dioxothiolane-3-carbonitrile
CID 115338136
1-(1-hydroxy-3-propan-2-ylcyclohexyl)cyclohexane-1-carbonitrile
CID 107450654
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile
CID 80603084

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile (CID 79129448) is 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile is N#CC1(C2(O)CCCCCC2)CCCC1.
What is the InChIKey of 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile?
The InChIKey is FSMPSRASRRCSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c14-11-12(7-5-6-8-12)13(15)9-3-1-2-4-10-13/h15H,1-10H2.
What are the key properties of 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile?
1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79129448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).