aniline;furan-2-carbaldehyde

C11H11NO2 — CID 87463808

IUPACaniline;furan-2-carbaldehyde
SMILESNc1ccccc1.O=Cc1ccco1
InChIInChI=1S/C6H7N.C5H4O2/c7-6-4-2-1-3-5-6;6-4-5-2-1-3-7-5/h1-5H,7H2;1-4H
InChIKeyVNDPRUDMNIXVTP-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.36
Rot. Bonds1

About aniline;furan-2-carbaldehyde

aniline;furan-2-carbaldehyde (PubChem CID 87463808) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is aniline;furan-2-carbaldehyde.

Molecular Properties

Compound Nameaniline;furan-2-carbaldehyde
PubChem CID87463808
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Nameaniline;furan-2-carbaldehyde
SMILESNc1ccccc1.O=Cc1ccco1
InChIInChI=1S/C6H7N.C5H4O2/c7-6-4-2-1-3-5-6;6-4-5-2-1-3-7-5/h1-5H,7H2;1-4H
InChIKeyVNDPRUDMNIXVTP-UHFFFAOYSA-N
XLogP2.36
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;furan-2-carbaldehyde?
The IUPAC name of aniline;furan-2-carbaldehyde (CID 87463808) is aniline;furan-2-carbaldehyde.
What is the SMILES notation for aniline;furan-2-carbaldehyde?
The canonical SMILES for aniline;furan-2-carbaldehyde is Nc1ccccc1.O=Cc1ccco1.
What is the InChIKey of aniline;furan-2-carbaldehyde?
The InChIKey is VNDPRUDMNIXVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H4O2/c7-6-4-2-1-3-5-6;6-4-5-2-1-3-7-5/h1-5H,7H2;1-4H.
What are the key properties of aniline;furan-2-carbaldehyde?
aniline;furan-2-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;furan-2-carbaldehyde is sourced from PubChem (CID 87463808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).