prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate

C12H18N2O2 — CID 102158013

IUPACprop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate
SMILESC=CCOC(=O)[C@H]1CCCCN1CCC#N
InChIInChI=1S/C12H18N2O2/c1-2-10-16-12(15)11-6-3-4-8-14(11)9-5-7-13/h2,11H,1,3-6,8-10H2/t11-/m1/s1
InChIKeyUTXRMBHZFQSBSR-LLVKDONJSA-N
MW222.29 g/mol
LogP1.48
Rot. Bonds5

About prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate

prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate (PubChem CID 102158013) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate
PubChem CID102158013
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameprop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate
SMILESC=CCOC(=O)[C@H]1CCCCN1CCC#N
InChIInChI=1S/C12H18N2O2/c1-2-10-16-12(15)11-6-3-4-8-14(11)9-5-7-13/h2,11H,1,3-6,8-10H2/t11-/m1/s1
InChIKeyUTXRMBHZFQSBSR-LLVKDONJSA-N
XLogP1.48
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-1-(2-cyanoethyl)pyrrolidine-2-carboxylate
CID 80709651
(2S)-1-(2-cyanoethyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 59131193
prop-2-enyl cyclododecanecarboxylate
CID 139624721
4-oxo-4-[(2R)-2-prop-2-enoxycarbonylpyrrolidin-1-yl]butanoic acid
CID 156834948
benzyl (2S)-1-but-3-ynylpyrrolidine-2-carboxylate
CID 10061025
methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
CID 62028861
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
1-(1-pent-3-ynylpiperidin-2-yl)ethanone
CID 104807764
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
1-[(2S)-1-but-3-ynylpyrrolidin-2-yl]ethanone
CID 175636664
prop-2-enyl (2S)-1-hex-5-enoylpyrrolidine-2-carboxylate
CID 90084445
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate?
The IUPAC name of prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate (CID 102158013) is prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate.
What is the SMILES notation for prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate?
The canonical SMILES for prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate is C=CCOC(=O)[C@H]1CCCCN1CCC#N.
What is the InChIKey of prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate?
The InChIKey is UTXRMBHZFQSBSR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-10-16-12(15)11-6-3-4-8-14(11)9-5-7-13/h2,11H,1,3-6,8-10H2/t11-/m1/s1.
What are the key properties of prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate?
prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R)-1-(2-cyanoethyl)piperidine-2-carboxylate is sourced from PubChem (CID 102158013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).