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

C9H15NO2 — CID 581983

IUPACmethyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate
SMILESC=C(C)C1CCCN1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-7(2)8-5-4-6-10(8)9(11)12-3/h8H,1,4-6H2,2-3H3
InChIKeyCPKYNHUISGCYHO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds1

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

methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate (PubChem CID 581983) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate
PubChem CID581983
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate
SMILESC=C(C)C1CCCN1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-7(2)8-5-4-6-10(8)9(11)12-3/h8H,1,4-6H2,2-3H3
InChIKeyCPKYNHUISGCYHO-UHFFFAOYSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-ethenylpyrrolidine-1-carboxylate
CID 13081452
1-Pyrrolidinecarboxylic acid, 2-(2-propenyl)-, methyl ester
CID 11062814
tert-butyl (2S)-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 11275862
methyl (2R,4S)-4-fluoro-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 169835537
(4Z)-4-(fluoromethylidene)-2-propylpyrrolidine-1-carbaldehyde
CID 170423198
Ethyl 2-buta-1,3-dien-2-ylpyrrolidine-1-carboxylate
CID 101203262
tert-butyl (2R)-2-hex-1-en-2-ylpyrrolidine-1-carboxylate
CID 101729119
Methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate
CID 20694536
tert-butyl (2R)-2-methyl-4-methylidenepyrrolidine-1-carboxylate
CID 58938829
Tert-butyl 2-methyl-4-methylidenepyrrolidine-1-carboxylate
CID 72468928
tert-Butyl 2-(prop-1-en-2-yl)pyrrolidine-1-carboxylate
CID 72780141
2-Prop-1-en-2-ylpyrrolidine-1-carboxylic acid
CID 90238120

Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate (CID 581983) is methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate is C=C(C)C1CCCN1C(=O)OC.
What is the InChIKey of methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
The InChIKey is CPKYNHUISGCYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)8-5-4-6-10(8)9(11)12-3/h8H,1,4-6H2,2-3H3.
What are the key properties of methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate?
methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-1-en-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 581983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).