2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde

C9H15NO — CID 115560602

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde
SMILESO=CCN1CC2CCCC2C1
InChIInChI=1S/C9H15NO/c11-5-4-10-6-8-2-1-3-9(8)7-10/h5,8-9H,1-4,6-7H2
InChIKeyBXMYCYYVBTTWKN-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.92
Rot. Bonds2

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde (PubChem CID 115560602) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde
PubChem CID115560602
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde
SMILESO=CCN1CC2CCCC2C1
InChIInChI=1S/C9H15NO/c11-5-4-10-6-8-2-1-3-9(8)7-10/h5,8-9H,1-4,6-7H2
InChIKeyBXMYCYYVBTTWKN-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde (CID 115560602) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde is O=CCN1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde?
The InChIKey is BXMYCYYVBTTWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-5-4-10-6-8-2-1-3-9(8)7-10/h5,8-9H,1-4,6-7H2.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde has a molecular weight of 153.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde is sourced from PubChem (CID 115560602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).