1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile

C11H17NO — CID 79132459

IUPAC1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(O)C2CCCC2)CCC1
InChIInChI=1S/C11H17NO/c12-8-11(6-3-7-11)10(13)9-4-1-2-5-9/h9-10,13H,1-7H2
InChIKeyWTMRKDWLJSHFMV-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.23
Rot. Bonds2

About 1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile

1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile (PubChem CID 79132459) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile
PubChem CID79132459
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(O)C2CCCC2)CCC1
InChIInChI=1S/C11H17NO/c12-8-11(6-3-7-11)10(13)9-4-1-2-5-9/h9-10,13H,1-7H2
InChIKeyWTMRKDWLJSHFMV-UHFFFAOYSA-N
XLogP2.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile (CID 79132459) is 1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile is N#CC1(C(O)C2CCCC2)CCC1.
What is the InChIKey of 1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile?
The InChIKey is WTMRKDWLJSHFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-8-11(6-3-7-11)10(13)9-4-1-2-5-9/h9-10,13H,1-7H2.
What are the key properties of 1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile?
1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile has a molecular weight of 179.26 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-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 79132459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).