acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C10H19NO — CID 143016565

IUPACacetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC=O.CN1CC2CCCC2C1
InChIInChI=1S/C8H15N.C2H4O/c1-9-5-7-3-2-4-8(7)6-9;1-2-3/h7-8H,2-6H2,1H3;2H,1H3
InChIKeyJLFXOSDVLPIEEN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds

About acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 143016565) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Nameacetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID143016565
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameacetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC=O.CN1CC2CCCC2C1
InChIInChI=1S/C8H15N.C2H4O/c1-9-5-7-3-2-4-8(7)6-9;1-2-3/h7-8H,2-6H2,1H3;2H,1H3
InChIKeyJLFXOSDVLPIEEN-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxopropanenitrile;propane;2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 144443591
2,2-dimethyl-3-oxopropanenitrile;2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 144443634
(3aR)-2-(2-methoxyethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 148135135
(3aR,6aS)-2-[2-(methoxymethyl)butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156753921
2-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166806745
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)butan-2-one
CID 80399997
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)acetaldehyde
CID 115560602
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanal
CID 115560619
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-one
CID 115560626
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methylpentanal
CID 115561813
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methylbutanal
CID 115561818
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-ethylbutanal
CID 115561826

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 143016565) is acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC=O.CN1CC2CCCC2C1.
What is the InChIKey of acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is JLFXOSDVLPIEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H4O/c1-9-5-7-3-2-4-8(7)6-9;1-2-3/h7-8H,2-6H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 169.27 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 143016565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).