cyclopenta[b]indole-1-carbaldehyde

C12H7NO — CID 87969603

IUPACcyclopenta[b]indole-1-carbaldehyde
SMILESO=CC1=CC=C2N=c3ccccc3=C12
InChIInChI=1S/C12H7NO/c14-7-8-5-6-11-12(8)9-3-1-2-4-10(9)13-11/h1-7H
InChIKeyMUGQUPZURWEUKK-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.49
Rot. Bonds1

About cyclopenta[b]indole-1-carbaldehyde

cyclopenta[b]indole-1-carbaldehyde (PubChem CID 87969603) has the molecular formula C12H7NO and a molecular weight of 181.19 g/mol. Its IUPAC name is cyclopenta[b]indole-1-carbaldehyde.

Molecular Properties

Compound Namecyclopenta[b]indole-1-carbaldehyde
PubChem CID87969603
Molecular FormulaC12H7NO
Molecular Weight181.19 g/mol
Exact Mass181.05
IUPAC Namecyclopenta[b]indole-1-carbaldehyde
SMILESO=CC1=CC=C2N=c3ccccc3=C12
InChIInChI=1S/C12H7NO/c14-7-8-5-6-11-12(8)9-3-1-2-4-10(9)13-11/h1-7H
InChIKeyMUGQUPZURWEUKK-UHFFFAOYSA-N
XLogP0.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.49
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 cyclopenta[b]indole-1-carbaldehyde?
The IUPAC name of cyclopenta[b]indole-1-carbaldehyde (CID 87969603) is cyclopenta[b]indole-1-carbaldehyde.
What is the SMILES notation for cyclopenta[b]indole-1-carbaldehyde?
The canonical SMILES for cyclopenta[b]indole-1-carbaldehyde is O=CC1=CC=C2N=c3ccccc3=C12.
What is the InChIKey of cyclopenta[b]indole-1-carbaldehyde?
The InChIKey is MUGQUPZURWEUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO/c14-7-8-5-6-11-12(8)9-3-1-2-4-10(9)13-11/h1-7H.
What are the key properties of cyclopenta[b]indole-1-carbaldehyde?
cyclopenta[b]indole-1-carbaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[b]indole-1-carbaldehyde is sourced from PubChem (CID 87969603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).