1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile

C15H25NO — CID 103142237

IUPAC1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile
SMILESCC1CCC(CC2(C#N)CCCCCCC2)O1
InChIInChI=1S/C15H25NO/c1-13-7-8-14(17-13)11-15(12-16)9-5-3-2-4-6-10-15/h13-14H,2-11H2,1H3
InChIKeyUUQMXUAPRDSVMK-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.20
Rot. Bonds2

About 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile

1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile (PubChem CID 103142237) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile
PubChem CID103142237
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile
SMILESCC1CCC(CC2(C#N)CCCCCCC2)O1
InChIInChI=1S/C15H25NO/c1-13-7-8-14(17-13)11-15(12-16)9-5-3-2-4-6-10-15/h13-14H,2-11H2,1H3
InChIKeyUUQMXUAPRDSVMK-UHFFFAOYSA-N
XLogP4.20
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
CID 103142102
[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methanamine
CID 103138394
[1-[(5-methyloxolan-2-yl)methyl]cyclopentyl]methanamine
CID 103138397
1-(cyclopropylmethyl)cyclohexane-1-carbonitrile
CID 126977193
[1-[(5-methyloxolan-2-yl)methoxy]cycloheptyl]methanamine
CID 103132528
1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile
CID 125448984
4-[(5,5-dimethyloxolan-2-yl)methyl]oxane-4-carbonitrile
CID 116524976
2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 103138492
3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
CID 103142930
1-ethylcyclopentane-1-carbonitrile
CID 12859571
3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
CID 103142961
1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile
CID 130513551

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile (CID 103142237) is 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile is CC1CCC(CC2(C#N)CCCCCCC2)O1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile?
The InChIKey is UUQMXUAPRDSVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13-7-8-14(17-13)11-15(12-16)9-5-3-2-4-6-10-15/h13-14H,2-11H2,1H3.
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile?
1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methyl]cyclooctane-1-carbonitrile is sourced from PubChem (CID 103142237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).