ethane;1-methylpyrrolidine-3-carbaldehyde

C8H17NO — CID 91444765

IUPACethane;1-methylpyrrolidine-3-carbaldehyde
SMILESCC.CN1CCC(C=O)C1
InChIInChI=1S/C6H11NO.C2H6/c1-7-3-2-6(4-7)5-8;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyXMFPWJKIMDLGGO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds1

About ethane;1-methylpyrrolidine-3-carbaldehyde

ethane;1-methylpyrrolidine-3-carbaldehyde (PubChem CID 91444765) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;1-methylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Nameethane;1-methylpyrrolidine-3-carbaldehyde
PubChem CID91444765
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;1-methylpyrrolidine-3-carbaldehyde
SMILESCC.CN1CCC(C=O)C1
InChIInChI=1S/C6H11NO.C2H6/c1-7-3-2-6(4-7)5-8;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyXMFPWJKIMDLGGO-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-methylpyrrolidine-3-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 ethane;1-methylpyrrolidine-3-carbaldehyde?
The IUPAC name of ethane;1-methylpyrrolidine-3-carbaldehyde (CID 91444765) is ethane;1-methylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for ethane;1-methylpyrrolidine-3-carbaldehyde?
The canonical SMILES for ethane;1-methylpyrrolidine-3-carbaldehyde is CC.CN1CCC(C=O)C1.
What is the InChIKey of ethane;1-methylpyrrolidine-3-carbaldehyde?
The InChIKey is XMFPWJKIMDLGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-7-3-2-6(4-7)5-8;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-methylpyrrolidine-3-carbaldehyde?
ethane;1-methylpyrrolidine-3-carbaldehyde has a molecular weight of 143.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 91444765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).