1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde

C10H17NO3 — CID 118612181

IUPAC1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde
SMILESCC(O)C(C)C(=O)N1CCCC1C=O
InChIInChI=1S/C10H17NO3/c1-7(8(2)13)10(14)11-5-3-4-9(11)6-12/h6-9,13H,3-5H2,1-2H3
InChIKeyGUVKCAMTCXOILT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.19
Rot. Bonds3

About 1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde

1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde (PubChem CID 118612181) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde
PubChem CID118612181
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde
SMILESCC(O)C(C)C(=O)N1CCCC1C=O
InChIInChI=1S/C10H17NO3/c1-7(8(2)13)10(14)11-5-3-4-9(11)6-12/h6-9,13H,3-5H2,1-2H3
InChIKeyGUVKCAMTCXOILT-UHFFFAOYSA-N
XLogP0.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
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-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of 1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde (CID 118612181) is 1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde is CC(O)C(C)C(=O)N1CCCC1C=O.
What is the InChIKey of 1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde?
The InChIKey is GUVKCAMTCXOILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(8(2)13)10(14)11-5-3-4-9(11)6-12/h6-9,13H,3-5H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde?
1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylbutanoyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 118612181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).