N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide

C14H12N2O4 — CID 47102362

IUPACN'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H12N2O4/c17-10-7-12(20-11-4-2-1-3-9(10)11)14(19)16-15-13(18)8-5-6-8/h1-4,7-8H,5-6H2,(H,15,18)(H,16,19)
InChIKeySZBGWOIJABPSDX-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.96
Rot. Bonds2

About N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide

N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide (PubChem CID 47102362) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
PubChem CID47102362
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H12N2O4/c17-10-7-12(20-11-4-2-1-3-9(10)11)14(19)16-15-13(18)8-5-6-8/h1-4,7-8H,5-6H2,(H,15,18)(H,16,19)
InChIKeySZBGWOIJABPSDX-UHFFFAOYSA-N
XLogP0.96
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N-piperidin-4-ylchromene-2-carboxamide
CID 43345718
N-[(4,4-difluorocyclohexyl)methyl]-4-oxochromene-2-carboxamide
CID 139328053
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide
CID 27568393
N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
CID 90499300
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 71788780
4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
CID 122298602
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide
CID 95379433
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide (CID 47102362) is N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide is O=C(NNC(=O)C1CC1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide?
The InChIKey is SZBGWOIJABPSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-10-7-12(20-11-4-2-1-3-9(10)11)14(19)16-15-13(18)8-5-6-8/h1-4,7-8H,5-6H2,(H,15,18)(H,16,19).
What are the key properties of N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide?
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide has a molecular weight of 272.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide is sourced from PubChem (CID 47102362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).