1-(furan-2-yl)indole-2-carbaldehyde

C13H9NO2 — CID 139887499

IUPAC1-(furan-2-yl)indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1-c1ccco1
InChIInChI=1S/C13H9NO2/c15-9-11-8-10-4-1-2-5-12(10)14(11)13-6-3-7-16-13/h1-9H
InChIKeyZXTYWXZDWMTSMQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.04
Rot. Bonds2

About 1-(furan-2-yl)indole-2-carbaldehyde

1-(furan-2-yl)indole-2-carbaldehyde (PubChem CID 139887499) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(furan-2-yl)indole-2-carbaldehyde.

Molecular Properties

Compound Name1-(furan-2-yl)indole-2-carbaldehyde
PubChem CID139887499
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name1-(furan-2-yl)indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1-c1ccco1
InChIInChI=1S/C13H9NO2/c15-9-11-8-10-4-1-2-5-12(10)14(11)13-6-3-7-16-13/h1-9H
InChIKeyZXTYWXZDWMTSMQ-UHFFFAOYSA-N
XLogP3.04
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)indole-2-carbaldehyde
CID 139887469
1-(furan-2-yl)indole
CID 70543237
1-cyclopropylindole-2-carbaldehyde
CID 115016882
1-(trifluoromethoxy)indole-2-carbaldehyde
CID 154019793
CID 58651990
CID 58651990
1-(methoxymethoxy)indole-2-carbaldehyde
CID 10856622
3-(furan-2-yl)-1-methylquinolin-2-one
CID 15733006
1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde
CID 122702906
5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde
CID 123494095
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442
1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde
CID 71368514
furan-2-carbaldehyde
CID 76972982

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)indole-2-carbaldehyde?
The IUPAC name of 1-(furan-2-yl)indole-2-carbaldehyde (CID 139887499) is 1-(furan-2-yl)indole-2-carbaldehyde.
What is the SMILES notation for 1-(furan-2-yl)indole-2-carbaldehyde?
The canonical SMILES for 1-(furan-2-yl)indole-2-carbaldehyde is O=Cc1cc2ccccc2n1-c1ccco1.
What is the InChIKey of 1-(furan-2-yl)indole-2-carbaldehyde?
The InChIKey is ZXTYWXZDWMTSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-9-11-8-10-4-1-2-5-12(10)14(11)13-6-3-7-16-13/h1-9H.
What are the key properties of 1-(furan-2-yl)indole-2-carbaldehyde?
1-(furan-2-yl)indole-2-carbaldehyde has a molecular weight of 211.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)indole-2-carbaldehyde is sourced from PubChem (CID 139887499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).