methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate

C9H15NO3 — CID 123773313

IUPACmethyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
SMILESC=C(C)C1CC(O)CN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-6(2)8-4-7(11)5-10(8)9(12)13-3/h7-8,11H,1,4-5H2,2-3H3
InChIKeyCGMKIWDFPXOASP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.76
Rot. Bonds1

About methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate

methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate (PubChem CID 123773313) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
PubChem CID123773313
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
SMILESC=C(C)C1CC(O)CN1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-6(2)8-4-7(11)5-10(8)9(12)13-3/h7-8,11H,1,4-5H2,2-3H3
InChIKeyCGMKIWDFPXOASP-UHFFFAOYSA-N
XLogP0.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carboxylate
CID 66733597
(2s,4r)-2-Allyl-4-hydroxy-1-methoxycarbonyl pyrrolidine
CID 101469363
tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 146165269
Methyl (2R,4S)-2-allyl-4-hydroxy-pyrrolidine-1-carboxylate
CID 162342084
rac-tert-butyl (3R,4S)-3-hydroxy-4-(2-methylprop-2-en-1-yl)pyrrolidine-1-carboxylate
CID 165787347
tert-butyl (2R,3S)-2-ethenyl-3-hydroxypyrrolidine-1-carboxylate
CID 11009286
tert-butyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11845447
tert-butyl (2R,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11847162
tert-butyl (2S,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11847164
tert-butyl (2S,4R)-2-allyl-4-hydroxypyrrolidine-1-carboxylate
CID 11847313
Tert-butyl 4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 20806431
2-(Hydroxymethyl)-4-methylidenepyrrolidine-1-carboxylic acid
CID 22671817

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate (CID 123773313) is methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate is C=C(C)C1CC(O)CN1C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
The InChIKey is CGMKIWDFPXOASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)8-4-7(11)5-10(8)9(12)13-3/h7-8,11H,1,4-5H2,2-3H3.
What are the key properties of methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 123773313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).