prop-2-enyl 4-iodopiperidine-1-carboxylate

C9H14INO2 — CID 130407658

IUPACprop-2-enyl 4-iodopiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(I)CC1
InChIInChI=1S/C9H14INO2/c1-2-7-13-9(12)11-5-3-8(10)4-6-11/h2,8H,1,3-7H2
InChIKeyVGWLOTCDBKLCIG-UHFFFAOYSA-N
MW295.12 g/mol
LogP2.21
Rot. Bonds2

About prop-2-enyl 4-iodopiperidine-1-carboxylate

prop-2-enyl 4-iodopiperidine-1-carboxylate (PubChem CID 130407658) has the molecular formula C9H14INO2 and a molecular weight of 295.12 g/mol. Its IUPAC name is prop-2-enyl 4-iodopiperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-iodopiperidine-1-carboxylate
PubChem CID130407658
Molecular FormulaC9H14INO2
Molecular Weight295.12 g/mol
Exact Mass295.01
IUPAC Nameprop-2-enyl 4-iodopiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(I)CC1
InChIInChI=1S/C9H14INO2/c1-2-7-13-9(12)11-5-3-8(10)4-6-11/h2,8H,1,3-7H2
InChIKeyVGWLOTCDBKLCIG-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
prop-2-enyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 165416751
2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate
CID 22238408
prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 112627490
[(E)-but-2-enyl] 4-butan-2-ylpiperidine-1-carboxylate;prop-1-ene
CID 142940682
prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 127503309
4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586
prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate
CID 67597256
3-[(3R,4S)-3-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl]propanoic acid
CID 66870234
prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate
CID 70468827
2-[4-(1-prop-2-enoxycarbonylpiperidin-4-yl)phenyl]acetic acid
CID 166000959

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-iodopiperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-iodopiperidine-1-carboxylate (CID 130407658) is prop-2-enyl 4-iodopiperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-iodopiperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-iodopiperidine-1-carboxylate is C=CCOC(=O)N1CCC(I)CC1.
What is the InChIKey of prop-2-enyl 4-iodopiperidine-1-carboxylate?
The InChIKey is VGWLOTCDBKLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14INO2/c1-2-7-13-9(12)11-5-3-8(10)4-6-11/h2,8H,1,3-7H2.
What are the key properties of prop-2-enyl 4-iodopiperidine-1-carboxylate?
prop-2-enyl 4-iodopiperidine-1-carboxylate has a molecular weight of 295.12 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-iodopiperidine-1-carboxylate is sourced from PubChem (CID 130407658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).