1-(2-hydroxyethyl)cycloheptane-1-carbonitrile

C10H17NO — CID 130514134

IUPAC1-(2-hydroxyethyl)cycloheptane-1-carbonitrile
SMILESN#CC1(CCO)CCCCCC1
InChIInChI=1S/C10H17NO/c11-9-10(7-8-12)5-3-1-2-4-6-10/h12H,1-8H2
InChIKeyXTLFVVAKAPETFI-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.23
Rot. Bonds2

About 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile

1-(2-hydroxyethyl)cycloheptane-1-carbonitrile (PubChem CID 130514134) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)cycloheptane-1-carbonitrile
PubChem CID130514134
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-hydroxyethyl)cycloheptane-1-carbonitrile
SMILESN#CC1(CCO)CCCCCC1
InChIInChI=1S/C10H17NO/c11-9-10(7-8-12)5-3-1-2-4-6-10/h12H,1-8H2
InChIKeyXTLFVVAKAPETFI-UHFFFAOYSA-N
XLogP2.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypropyl)cyclopropane-1-carbonitrile
CID 130514511
1-(4-chlorobutyl)cyclohexane-1-carbonitrile
CID 165451410
1-dodecylcycloheptane-1-carbonitrile
CID 65392089
1-(2-ethoxyethyl)cycloheptane-1-carbonitrile
CID 65390901
1-(4-methoxybutyl)cyclooctane-1-carbonitrile
CID 104650536
1-ethylcyclopentane-1-carbonitrile
CID 12859571
1-(3-methylsulfonylpropyl)cyclohexane-1-carbonitrile
CID 65378042
1-(3-methylsulfonylpropyl)cycloheptane-1-carbonitrile
CID 65391693
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctane-1-carbonitrile
CID 80602622
2-[1,2,2-tris(2-hydroxyethyl)cyclononatriacontyl]ethanol
CID 150050079
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870
2-[1-(2-hydroxyethyl)cyclodecyl]ethanol
CID 18618783

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile (CID 130514134) is 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile is N#CC1(CCO)CCCCCC1.
What is the InChIKey of 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile?
The InChIKey is XTLFVVAKAPETFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-9-10(7-8-12)5-3-1-2-4-6-10/h12H,1-8H2.
What are the key properties of 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile?
1-(2-hydroxyethyl)cycloheptane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 130514134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).