2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde

C9H8N2O3 — CID 82604410

IUPAC2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde
SMILESNCC(=O)c1cc2c(C=O)c[nH]c2o1
InChIInChI=1S/C9H8N2O3/c10-2-7(13)8-1-6-5(4-12)3-11-9(6)14-8/h1,3-4,11H,2,10H2
InChIKeySZKFQIQVUVKURJ-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.71
Rot. Bonds3

About 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde

2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde (PubChem CID 82604410) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde
PubChem CID82604410
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde
SMILESNCC(=O)c1cc2c(C=O)c[nH]c2o1
InChIInChI=1S/C9H8N2O3/c10-2-7(13)8-1-6-5(4-12)3-11-9(6)14-8/h1,3-4,11H,2,10H2
InChIKeySZKFQIQVUVKURJ-UHFFFAOYSA-N
XLogP0.71
TPSA89.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoacetyl)-6-methylfuro[2,3-b]pyrrole-5-carbaldehyde
CID 82610277
4-(3-formyl-1H-indol-6-yl)but-3-ynamide
CID 170473819
2-amino-1-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)ethanone
CID 84694595
N-[(3-formyl-1H-indol-5-yl)methyl]acetamide
CID 22139326
3-(3-formyl-1H-indol-5-yl)propyl acetate
CID 90302364
5-(fluoromethyl)-1H-indole-3-carbaldehyde
CID 163735426
4-formyl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
CID 96622829
7-ethyl-3-formyl-1H-indole-5-carboxylic acid
CID 83948058
2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride
CID 67834737
5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
CID 22605383
5-chloro-6-hydroxy-1H-indole-3-carbaldehyde
CID 123762927
7-bromo-5-hydroxy-1H-indole-3-carbaldehyde
CID 123309873

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde?
The IUPAC name of 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde (CID 82604410) is 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde.
What is the SMILES notation for 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde?
The canonical SMILES for 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde is NCC(=O)c1cc2c(C=O)c[nH]c2o1.
What is the InChIKey of 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde?
The InChIKey is SZKFQIQVUVKURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-2-7(13)8-1-6-5(4-12)3-11-9(6)14-8/h1,3-4,11H,2,10H2.
What are the key properties of 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde?
2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde has a molecular weight of 192.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoacetyl)-6H-furo[2,3-b]pyrrole-4-carbaldehyde is sourced from PubChem (CID 82604410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).