cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile

C10H17NO — CID 71415300

IUPACcis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
SMILESCCCC[C@@H]1CCC[C@]1(O)C#N
InChIInChI=1S/C10H17NO/c1-2-3-5-9-6-4-7-10(9,12)8-11/h9,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyBPGMMOKNYWTRSX-ZJUUUORDSA-N
MW167.25 g/mol
LogP2.23
Rot. Bonds3

About cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile

cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile (PubChem CID 71415300) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
PubChem CID71415300
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namecis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
SMILESCCCC[C@@H]1CCC[C@]1(O)C#N
InChIInChI=1S/C10H17NO/c1-2-3-5-9-6-4-7-10(9,12)8-11/h9,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyBPGMMOKNYWTRSX-ZJUUUORDSA-N
XLogP2.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile?
The IUPAC name of cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile (CID 71415300) is cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile?
The canonical SMILES for cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile is CCCC[C@@H]1CCC[C@]1(O)C#N.
What is the InChIKey of cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile?
The InChIKey is BPGMMOKNYWTRSX-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-5-9-6-4-7-10(9,12)8-11/h9,12H,2-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile?
cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-butyl-1-hydroxycyclopentane-1-carbonitrile is sourced from PubChem (CID 71415300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).