4-hydrazinyl-2-oxochromene-3-carbonitrile

C10H7N3O2 — CID 71337522

IUPAC4-hydrazinyl-2-oxochromene-3-carbonitrile
SMILESN#Cc1c(NN)c2ccccc2oc1=O
InChIInChI=1S/C10H7N3O2/c11-5-7-9(13-12)6-3-1-2-4-8(6)15-10(7)14/h1-4,13H,12H2
InChIKeyIIXLDQRXJCURLT-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.95
Rot. Bonds1

About 4-hydrazinyl-2-oxochromene-3-carbonitrile

4-hydrazinyl-2-oxochromene-3-carbonitrile (PubChem CID 71337522) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 4-hydrazinyl-2-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name4-hydrazinyl-2-oxochromene-3-carbonitrile
PubChem CID71337522
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name4-hydrazinyl-2-oxochromene-3-carbonitrile
SMILESN#Cc1c(NN)c2ccccc2oc1=O
InChIInChI=1S/C10H7N3O2/c11-5-7-9(13-12)6-3-1-2-4-8(6)15-10(7)14/h1-4,13H,12H2
InChIKeyIIXLDQRXJCURLT-UHFFFAOYSA-N
XLogP0.95
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-hydrazinylchromen-2-one
CID 158299605
2-oxo-4-pent-4-enylchromene-3-carbonitrile
CID 102371513
2-ethyl-4-oxochromene-3-carbonitrile
CID 102579893
4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile
CID 10542788
2-oxo-4-[(2R)-2-phenylbutyl]chromene-3-carbonitrile
CID 138978619
2-benzyl-4-oxochromene-3-carbonitrile
CID 102579889
2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 71372426
4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile
CID 10688645
3-oxo-1-phenylbenzo[f]chromene-2-carbonitrile
CID 102100955
8,15-dioxo-14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-16-carbonitrile
CID 15778417
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
2-(bromomethyl)-1-benzofuran-3-carbonitrile
CID 135156805

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-oxochromene-3-carbonitrile?
The IUPAC name of 4-hydrazinyl-2-oxochromene-3-carbonitrile (CID 71337522) is 4-hydrazinyl-2-oxochromene-3-carbonitrile.
What is the SMILES notation for 4-hydrazinyl-2-oxochromene-3-carbonitrile?
The canonical SMILES for 4-hydrazinyl-2-oxochromene-3-carbonitrile is N#Cc1c(NN)c2ccccc2oc1=O.
What is the InChIKey of 4-hydrazinyl-2-oxochromene-3-carbonitrile?
The InChIKey is IIXLDQRXJCURLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c11-5-7-9(13-12)6-3-1-2-4-8(6)15-10(7)14/h1-4,13H,12H2.
What are the key properties of 4-hydrazinyl-2-oxochromene-3-carbonitrile?
4-hydrazinyl-2-oxochromene-3-carbonitrile has a molecular weight of 201.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-oxochromene-3-carbonitrile is sourced from PubChem (CID 71337522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).