cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate

C10H15NO3 — CID 45098862

IUPACcis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCC[C@]1(O)C#N
InChIInChI=1S/C10H15NO3/c1-7(2)14-9(12)8-4-3-5-10(8,13)6-11/h7-8,13H,3-5H2,1-2H3/t8-,10-/m0/s1
InChIKeyJYFXGINUTXMEOP-WPRPVWTQSA-N
MW197.23 g/mol
LogP0.99
Rot. Bonds2

About cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate

cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate (PubChem CID 45098862) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate
PubChem CID45098862
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namecis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCC[C@]1(O)C#N
InChIInChI=1S/C10H15NO3/c1-7(2)14-9(12)8-4-3-5-10(8,13)6-11/h7-8,13H,3-5H2,1-2H3/t8-,10-/m0/s1
InChIKeyJYFXGINUTXMEOP-WPRPVWTQSA-N
XLogP0.99
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile
CID 45095912
propan-2-yl 2,2-dimethylcyclopropane-1-carboxylate
CID 22239176
propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 85247477
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 14849276
propan-2-yl cyclopropanecarboxylate
CID 550170
propan-2-yl 2-chloro-2-fluorocyclopropane-1-carboxylate
CID 77223316
dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate
CID 142713572
1-hydroxy-2-methoxycyclohexane-1-carbonitrile
CID 86013365
propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762646
trans-(1R,2S)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
CID 71415303
2,3-dimethyl-1-propan-2-yloxycyclohexane-1-carbonitrile
CID 130878069
1-(1-hydroxy-4-propan-2-ylcyclohexyl)cyclobutane-1-carbonitrile
CID 79129220

Frequently Asked Questions

What is the IUPAC name of cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate (CID 45098862) is cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate is CC(C)OC(=O)[C@@H]1CCC[C@]1(O)C#N.
What is the InChIKey of cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate?
The InChIKey is JYFXGINUTXMEOP-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)14-9(12)8-4-3-5-10(8,13)6-11/h7-8,13H,3-5H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate?
cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 45098862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).