1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile

C9H13NO — CID 164645967

IUPAC1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(COC2CCC2)CC1
InChIInChI=1S/C9H13NO/c10-6-9(4-5-9)7-11-8-2-1-3-8/h8H,1-5,7H2
InChIKeyPBFMLTZTIQTBOG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.86
Rot. Bonds3

About 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile

1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile (PubChem CID 164645967) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile
PubChem CID164645967
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(COC2CCC2)CC1
InChIInChI=1S/C9H13NO/c10-6-9(4-5-9)7-11-8-2-1-3-8/h8H,1-5,7H2
InChIKeyPBFMLTZTIQTBOG-UHFFFAOYSA-N
XLogP1.86
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile (CID 164645967) is 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile is N#CC1(COC2CCC2)CC1.
What is the InChIKey of 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile?
The InChIKey is PBFMLTZTIQTBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-6-9(4-5-9)7-11-8-2-1-3-8/h8H,1-5,7H2.
What are the key properties of 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile?
1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile has a molecular weight of 151.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 164645967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).