4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one

C14H13N2O2+ — CID 6954633

IUPAC4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one
SMILESCCc1c[nH+]c(N)c2c(=O)oc3ccccc3c12
InChIInChI=1S/C14H12N2O2/c1-2-8-7-16-13(15)12-11(8)9-5-3-4-6-10(9)18-14(12)17/h3-7H,2H2,1H3,(H2,15,16)/p+1
InChIKeyPSVZZSLFAVRNFS-UHFFFAOYSA-O
MW241.27 g/mol
LogP1.90
Rot. Bonds1

About 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one

4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one (PubChem CID 6954633) has the molecular formula C14H13N2O2+ and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one.

Molecular Properties

Compound Name4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one
PubChem CID6954633
Molecular FormulaC14H13N2O2+
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one
SMILESCCc1c[nH+]c(N)c2c(=O)oc3ccccc3c12
InChIInChI=1S/C14H12N2O2/c1-2-8-7-16-13(15)12-11(8)9-5-3-4-6-10(9)18-14(12)17/h3-7H,2H2,1H3,(H2,15,16)/p+1
InChIKeyPSVZZSLFAVRNFS-UHFFFAOYSA-O
XLogP1.90
TPSA70.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,4-diethylchromen-2-one
CID 11680028
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
8-amino-10-methoxybenzo[c]chromen-6-one
CID 18732397
ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
CID 11594938
3-amino-4-[[(2R)-butan-2-yl]amino]chromen-2-one
CID 687355
naphtho[1,2-c]chromen-5-one
CID 102526290
propane;xanthen-9-one
CID 90876458
3,4-diethoxychromen-2-one
CID 90255816
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde
CID 11601481
ethyl 2-amino-5-oxochromeno[4,3-b]pyridin-1-ium-3-carboxylate
CID 7056969
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one?
The IUPAC name of 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one (CID 6954633) is 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one.
What is the SMILES notation for 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one?
The canonical SMILES for 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one is CCc1c[nH+]c(N)c2c(=O)oc3ccccc3c12.
What is the InChIKey of 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one?
The InChIKey is PSVZZSLFAVRNFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H12N2O2/c1-2-8-7-16-13(15)12-11(8)9-5-3-4-6-10(9)18-14(12)17/h3-7H,2H2,1H3,(H2,15,16)/p+1.
What are the key properties of 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one?
4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one has a molecular weight of 241.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one is sourced from PubChem (CID 6954633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).