1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde

C11H8N2O — CID 13383639

IUPAC1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde
SMILESO=Cc1cc2ccc3[nH]ccc3c2[nH]1
InChIInChI=1S/C11H8N2O/c14-6-8-5-7-1-2-10-9(3-4-12-10)11(7)13-8/h1-6,12-13H
InChIKeyCWPMQQGFHVGASW-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.46
Rot. Bonds1

About 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde

1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde (PubChem CID 13383639) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde.

Molecular Properties

Compound Name1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde
PubChem CID13383639
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde
SMILESO=Cc1cc2ccc3[nH]ccc3c2[nH]1
InChIInChI=1S/C11H8N2O/c14-6-8-5-7-1-2-10-9(3-4-12-10)11(7)13-8/h1-6,12-13H
InChIKeyCWPMQQGFHVGASW-UHFFFAOYSA-N
XLogP2.46
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,7-dihydropyrrolo[2,3-h]quinolin-2-one
CID 90844750
6-methylsulfanyl-1H-indole-2-carbaldehyde
CID 83915523
6-hydroxy-1H-indole-2-carbaldehyde
CID 82415497
1,1-dioxo-3,8-dihydro-2H-thieno[3,2-g]indole-7-carbaldehyde
CID 96595834
methyl 4-formyl-1H-indole-5-sulfonate
CID 139901266
5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde
CID 176560287
2-formyl-1H-indole-5-carbonitrile
CID 11579193
3H-benzo[e]indole-8-carboxamide
CID 141139150
6-amino-1H-indole-4-carbaldehyde
CID 88910785
4-bromo-1H-indole-6-carbaldehyde
CID 172740463
5-hydroxy-7-methyl-1H-indole-2-carbaldehyde
CID 105435999
3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid
CID 54427614

Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde?
The IUPAC name of 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde (CID 13383639) is 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde.
What is the SMILES notation for 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde?
The canonical SMILES for 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde is O=Cc1cc2ccc3[nH]ccc3c2[nH]1.
What is the InChIKey of 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde?
The InChIKey is CWPMQQGFHVGASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-6-8-5-7-1-2-10-9(3-4-12-10)11(7)13-8/h1-6,12-13H.
What are the key properties of 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde?
1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde has a molecular weight of 184.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrrolo[2,3-e]indole-2-carbaldehyde is sourced from PubChem (CID 13383639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).