2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde

C9H17NO — CID 15256959

IUPAC2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde
SMILESCC(C)N1CCCC1(C)C=O
InChIInChI=1S/C9H17NO/c1-8(2)10-6-4-5-9(10,3)7-11/h7-8H,4-6H2,1-3H3
InChIKeyNQHSGSHDGLFRIT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds2

About 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde

2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde (PubChem CID 15256959) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde
PubChem CID15256959
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde
SMILESCC(C)N1CCCC1(C)C=O
InChIInChI=1S/C9H17NO/c1-8(2)10-6-4-5-9(10,3)7-11/h7-8H,4-6H2,1-3H3
InChIKeyNQHSGSHDGLFRIT-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde?
The IUPAC name of 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde (CID 15256959) is 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde?
The canonical SMILES for 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde is CC(C)N1CCCC1(C)C=O.
What is the InChIKey of 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde?
The InChIKey is NQHSGSHDGLFRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)10-6-4-5-9(10,3)7-11/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde?
2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 15256959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).