acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one

C23H16N2O4 — CID 158135301

IUPACacetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one
SMILESCC#N.O=c1c2ccccc2oc2cccnc12.O=c1ccoc2ccccc12
InChIInChI=1S/C12H7NO2.C9H6O2.C2H3N/c14-12-8-4-1-2-5-9(8)15-10-6-3-7-13-11(10)12;10-8-5-6-11-9-4-2-1-3-7(8)9;1-2-3/h1-7H;1-6H;1H3
InChIKeyFTGRMJKOCZJUCL-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.66
Rot. Bonds

About acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one

acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one (PubChem CID 158135301) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one.

Molecular Properties

Compound Nameacetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one
PubChem CID158135301
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Nameacetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one
SMILESCC#N.O=c1c2ccccc2oc2cccnc12.O=c1ccoc2ccccc12
InChIInChI=1S/C12H7NO2.C9H6O2.C2H3N/c14-12-8-4-1-2-5-9(8)15-10-6-3-7-13-11(10)12;10-8-5-6-11-9-4-2-1-3-7(8)9;1-2-3/h1-7H;1-6H;1H3
InChIKeyFTGRMJKOCZJUCL-UHFFFAOYSA-N
XLogP4.66
TPSA97.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one
CID 158624582
chromen-4-one;ethane
CID 91315086
azane;chromen-4-one
CID 175189895
chromen-4-one;oxadiazole
CID 175168262
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
chromen-4-one;fluorobenzene
CID 174960592
bromobenzene;chromen-4-one
CID 174809663
chromeno[2,3-b]pyridin-5-one
CID 659312
6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
CID 59457780
chromen-4-one;1,3-thiazole
CID 175363331
6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 90090613
propane;xanthen-9-one
CID 90876458

Frequently Asked Questions

What is the IUPAC name of acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one?
The IUPAC name of acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one (CID 158135301) is acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one.
What is the SMILES notation for acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one?
The canonical SMILES for acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one is CC#N.O=c1c2ccccc2oc2cccnc12.O=c1ccoc2ccccc12.
What is the InChIKey of acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one?
The InChIKey is FTGRMJKOCZJUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2.C9H6O2.C2H3N/c14-12-8-4-1-2-5-9(8)15-10-6-3-7-13-11(10)12;10-8-5-6-11-9-4-2-1-3-7(8)9;1-2-3/h1-7H;1-6H;1H3.
What are the key properties of acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one?
acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one has a molecular weight of 384.39 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one is sourced from PubChem (CID 158135301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).