[1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate

C11H17NO3 — CID 101000090

IUPAC[1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate
SMILESCC(C)=CCC(=O)N1CCCC1OC=O
InChIInChI=1S/C11H17NO3/c1-9(2)5-6-10(14)12-7-3-4-11(12)15-8-13/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyDNMNWNDXRYPPGE-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.46
Rot. Bonds4

About [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate

[1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate (PubChem CID 101000090) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate.

Molecular Properties

Compound Name[1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate
PubChem CID101000090
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate
SMILESCC(C)=CCC(=O)N1CCCC1OC=O
InChIInChI=1S/C11H17NO3/c1-9(2)5-6-10(14)12-7-3-4-11(12)15-8-13/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyDNMNWNDXRYPPGE-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate?
The IUPAC name of [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate (CID 101000090) is [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate.
What is the SMILES notation for [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate?
The canonical SMILES for [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate is CC(C)=CCC(=O)N1CCCC1OC=O.
What is the InChIKey of [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate?
The InChIKey is DNMNWNDXRYPPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9(2)5-6-10(14)12-7-3-4-11(12)15-8-13/h5,8,11H,3-4,6-7H2,1-2H3.
What are the key properties of [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate?
[1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate has a molecular weight of 211.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpent-3-enoyl)pyrrolidin-2-yl] formate is sourced from PubChem (CID 101000090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).