2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile

C12H19NO2 — CID 43292537

IUPAC2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1OCC1CCCCO1
InChIInChI=1S/C12H19NO2/c13-8-10-4-3-6-12(10)15-9-11-5-1-2-7-14-11/h10-12H,1-7,9H2
InChIKeyBAKHQDQKGZNEOS-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.26
Rot. Bonds3

About 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile

2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile (PubChem CID 43292537) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
PubChem CID43292537
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1OCC1CCCCO1
InChIInChI=1S/C12H19NO2/c13-8-10-4-3-6-12(10)15-9-11-5-1-2-7-14-11/h10-12H,1-7,9H2
InChIKeyBAKHQDQKGZNEOS-UHFFFAOYSA-N
XLogP2.26
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile
CID 115001962
2-(oxan-2-ylmethoxy)cyclododecan-1-amine
CID 43099703
2-propoxycyclohexane-1-carbonitrile
CID 43292927
2-(oxolan-2-ylmethoxy)cyclopentane-1-carboxylic acid
CID 114988084
2-(2-methoxyethoxy)cyclopentane-1-carbonitrile
CID 43292510
2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine
CID 79856841
2-[(3-chlorocyclobutyl)oxymethyl]oxane
CID 66345100
(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-ol
CID 114032146
1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 79638341
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
(2S)-2-(prop-2-ynoxymethyl)oxane
CID 175331724

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile (CID 43292537) is 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile is N#CC1CCCC1OCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile?
The InChIKey is BAKHQDQKGZNEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-8-10-4-3-6-12(10)15-9-11-5-1-2-7-14-11/h10-12H,1-7,9H2.
What are the key properties of 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile?
2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile has a molecular weight of 209.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 43292537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).