2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde

C9H13NO — CID 14093057

IUPAC2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde
SMILESCC1CC2C=CCC2N1C=O
InChIInChI=1S/C9H13NO/c1-7-5-8-3-2-4-9(8)10(7)6-11/h2-3,6-9H,4-5H2,1H3
InChIKeyTUAPBVUPVQCZLN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds1

About 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde

2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde (PubChem CID 14093057) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde
PubChem CID14093057
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde
SMILESCC1CC2C=CCC2N1C=O
InChIInChI=1S/C9H13NO/c1-7-5-8-3-2-4-9(8)10(7)6-11/h2-3,6-9H,4-5H2,1H3
InChIKeyTUAPBVUPVQCZLN-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone
CID 58497653
1-[(6Z)-5-propan-2-ylidenenona-6,8-dien-4-yl]cyclopenta-1,3-diene;2-prop-1-en-2-ylpyrrolidine-1-carbaldehyde
CID 141997943
2,2-dimethyl-3a,7a-dihydro-3H-indole-1-carbaldehyde
CID 175368316
Methyl 2-cyclopent-2-en-1-ylpyrrolidine-1-carboxylate
CID 11287040
2-Azabicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 13050056
2-Azabicyclo[3.3.1]non-6-ene-2-carbaldehyde
CID 58123709
(1S,4R)-2-azabicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 93503130
(1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 93503131
(1S,4S)-2-azabicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 98084068
(1R,4R)-2-azabicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 98084070
2-[(5Z)-hepta-1,5-dien-3-yl]pyrrolidine-1-carbaldehyde
CID 142921802
2-[(6Z)-nona-1,6-dien-5-yl]pyrrolidine-1-carbaldehyde
CID 143479343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde?
The IUPAC name of 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde (CID 14093057) is 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde.
What is the SMILES notation for 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde?
The canonical SMILES for 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde is CC1CC2C=CCC2N1C=O.
What is the InChIKey of 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde?
The InChIKey is TUAPBVUPVQCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-5-8-3-2-4-9(8)10(7)6-11/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde?
2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde has a molecular weight of 151.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrole-1-carbaldehyde is sourced from PubChem (CID 14093057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).