2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal

C13H23NO — CID 130949191

IUPAC2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal
SMILESCC1(C)CN(C(C)(C)C=O)C2CCCC21
InChIInChI=1S/C13H23NO/c1-12(2)8-14(13(3,4)9-15)11-7-5-6-10(11)12/h9-11H,5-8H2,1-4H3
InChIKeyORUKCNTYBDVHNH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.47
Rot. Bonds2

About 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal

2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal (PubChem CID 130949191) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal
PubChem CID130949191
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal
SMILESCC1(C)CN(C(C)(C)C=O)C2CCCC21
InChIInChI=1S/C13H23NO/c1-12(2)8-14(13(3,4)9-15)11-7-5-6-10(11)12/h9-11H,5-8H2,1-4H3
InChIKeyORUKCNTYBDVHNH-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal 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-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal?
The IUPAC name of 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal (CID 130949191) is 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal is CC1(C)CN(C(C)(C)C=O)C2CCCC21.
What is the InChIKey of 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal?
The InChIKey is ORUKCNTYBDVHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2)8-14(13(3,4)9-15)11-7-5-6-10(11)12/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal?
2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal has a molecular weight of 209.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-2-methylpropanal is sourced from PubChem (CID 130949191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).