methyl 2-but-3-enylpyrrolidine-1-carboxylate

C10H17NO2 — CID 12064730

IUPACmethyl 2-but-3-enylpyrrolidine-1-carboxylate
SMILESC=CCCC1CCCN1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-4-6-9-7-5-8-11(9)10(12)13-2/h3,9H,1,4-8H2,2H3
InChIKeyAKZFDWQWUSPOQT-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.18
Rot. Bonds3

About methyl 2-but-3-enylpyrrolidine-1-carboxylate

methyl 2-but-3-enylpyrrolidine-1-carboxylate (PubChem CID 12064730) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-but-3-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-but-3-enylpyrrolidine-1-carboxylate
PubChem CID12064730
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-but-3-enylpyrrolidine-1-carboxylate
SMILESC=CCCC1CCCN1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-4-6-9-7-5-8-11(9)10(12)13-2/h3,9H,1,4-8H2,2H3
InChIKeyAKZFDWQWUSPOQT-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-but-3-enylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-but-3-enylpyrrolidine-1-carboxylate (CID 12064730) is methyl 2-but-3-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-but-3-enylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-but-3-enylpyrrolidine-1-carboxylate is C=CCCC1CCCN1C(=O)OC.
What is the InChIKey of methyl 2-but-3-enylpyrrolidine-1-carboxylate?
The InChIKey is AKZFDWQWUSPOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-6-9-7-5-8-11(9)10(12)13-2/h3,9H,1,4-8H2,2H3.
What are the key properties of methyl 2-but-3-enylpyrrolidine-1-carboxylate?
methyl 2-but-3-enylpyrrolidine-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-but-3-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 12064730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).