[1-(3-methylbutanoyl)pyrrolidin-2-yl] formate

C10H17NO3 — CID 58134026

IUPAC[1-(3-methylbutanoyl)pyrrolidin-2-yl] formate
SMILESCC(C)CC(=O)N1CCCC1OC=O
InChIInChI=1S/C10H17NO3/c1-8(2)6-9(13)11-5-3-4-10(11)14-7-12/h7-8,10H,3-6H2,1-2H3
InChIKeyMQWYPBHWFPWOCG-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.15
Rot. Bonds4

About [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate

[1-(3-methylbutanoyl)pyrrolidin-2-yl] formate (PubChem CID 58134026) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate.

Molecular Properties

Compound Name[1-(3-methylbutanoyl)pyrrolidin-2-yl] formate
PubChem CID58134026
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[1-(3-methylbutanoyl)pyrrolidin-2-yl] formate
SMILESCC(C)CC(=O)N1CCCC1OC=O
InChIInChI=1S/C10H17NO3/c1-8(2)6-9(13)11-5-3-4-10(11)14-7-12/h7-8,10H,3-6H2,1-2H3
InChIKeyMQWYPBHWFPWOCG-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate?
The IUPAC name of [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate (CID 58134026) is [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate.
What is the SMILES notation for [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate?
The canonical SMILES for [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate is CC(C)CC(=O)N1CCCC1OC=O.
What is the InChIKey of [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate?
The InChIKey is MQWYPBHWFPWOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(2)6-9(13)11-5-3-4-10(11)14-7-12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate?
[1-(3-methylbutanoyl)pyrrolidin-2-yl] formate has a molecular weight of 199.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutanoyl)pyrrolidin-2-yl] formate is sourced from PubChem (CID 58134026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).