2-amino-4-ethyl-4H-chromene-3-carbaldehyde

C12H13NO2 — CID 129317604

IUPAC2-amino-4-ethyl-4H-chromene-3-carbaldehyde
SMILESCCC1C(C=O)=C(N)Oc2ccccc21
InChIInChI=1S/C12H13NO2/c1-2-8-9-5-3-4-6-11(9)15-12(13)10(8)7-14/h3-8H,2,13H2,1H3
InChIKeyNHYQMQGRNSKAHS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.94
Rot. Bonds2

About 2-amino-4-ethyl-4H-chromene-3-carbaldehyde

2-amino-4-ethyl-4H-chromene-3-carbaldehyde (PubChem CID 129317604) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-4-ethyl-4H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-ethyl-4H-chromene-3-carbaldehyde
PubChem CID129317604
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-amino-4-ethyl-4H-chromene-3-carbaldehyde
SMILESCCC1C(C=O)=C(N)Oc2ccccc21
InChIInChI=1S/C12H13NO2/c1-2-8-9-5-3-4-6-11(9)15-12(13)10(8)7-14/h3-8H,2,13H2,1H3
InChIKeyNHYQMQGRNSKAHS-UHFFFAOYSA-N
XLogP1.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-4H-chromene-3-carbaldehyde?
The IUPAC name of 2-amino-4-ethyl-4H-chromene-3-carbaldehyde (CID 129317604) is 2-amino-4-ethyl-4H-chromene-3-carbaldehyde.
What is the SMILES notation for 2-amino-4-ethyl-4H-chromene-3-carbaldehyde?
The canonical SMILES for 2-amino-4-ethyl-4H-chromene-3-carbaldehyde is CCC1C(C=O)=C(N)Oc2ccccc21.
What is the InChIKey of 2-amino-4-ethyl-4H-chromene-3-carbaldehyde?
The InChIKey is NHYQMQGRNSKAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-8-9-5-3-4-6-11(9)15-12(13)10(8)7-14/h3-8H,2,13H2,1H3.
What are the key properties of 2-amino-4-ethyl-4H-chromene-3-carbaldehyde?
2-amino-4-ethyl-4H-chromene-3-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-4H-chromene-3-carbaldehyde is sourced from PubChem (CID 129317604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).