5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide

C11H14N2O2 — CID 139790845

IUPAC5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
SMILESCc1c(C(=O)NN)ccc2c1CCCO2
InChIInChI=1S/C11H14N2O2/c1-7-8-3-2-6-15-10(8)5-4-9(7)11(14)13-12/h4-5H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyUHICPIWNHJHIOM-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.92
Rot. Bonds1

About 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide

5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide (PubChem CID 139790845) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
PubChem CID139790845
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
SMILESCc1c(C(=O)NN)ccc2c1CCCO2
InChIInChI=1S/C11H14N2O2/c1-7-8-3-2-6-15-10(8)5-4-9(7)11(14)13-12/h4-5H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyUHICPIWNHJHIOM-UHFFFAOYSA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde
CID 139659158
6,7-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;methane
CID 143804420
5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
CID 143804461
7-cyano-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 121216139
3-(3,4-dihydro-2H-chromen-5-yl)propanamide
CID 19611662
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90355177
2-[1,6-dimethyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,3-dihydroindol-5-yl]acetic acid
CID 134221580
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
(5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol
CID 134205972
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
CID 32513029
4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide
CID 170055033
ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)propanoate
CID 61342767

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide?
The IUPAC name of 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide (CID 139790845) is 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide is Cc1c(C(=O)NN)ccc2c1CCCO2.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide?
The InChIKey is UHICPIWNHJHIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-8-3-2-6-15-10(8)5-4-9(7)11(14)13-12/h4-5H,2-3,6,12H2,1H3,(H,13,14).
What are the key properties of 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide?
5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide has a molecular weight of 206.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide is sourced from PubChem (CID 139790845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).