4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide

C14H20N2O2 — CID 116846526

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide
SMILESCNNC(=O)CCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20N2O2/c1-15-16-14(17)6-2-4-11-7-8-13-12(10-11)5-3-9-18-13/h7-8,10,15H,2-6,9H2,1H3,(H,16,17)
InChIKeyYSNOTNFGGKAXJG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds5

About 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide

4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide (PubChem CID 116846526) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide
PubChem CID116846526
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide
SMILESCNNC(=O)CCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20N2O2/c1-15-16-14(17)6-2-4-11-7-8-13-12(10-11)5-3-9-18-13/h7-8,10,15H,2-6,9H2,1H3,(H,16,17)
InChIKeyYSNOTNFGGKAXJG-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide
CID 116846644
5-(3,4-dihydro-2H-chromen-6-yl)-N-methylpentanehydrazide
CID 116845249
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116844990
3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide
CID 116846323
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
3-(3,4-dihydro-2H-chromen-6-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 167758778
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide (CID 116846526) is 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide is CNNC(=O)CCCc1ccc2c(c1)CCCO2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide?
The InChIKey is YSNOTNFGGKAXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-16-14(17)6-2-4-11-7-8-13-12(10-11)5-3-9-18-13/h7-8,10,15H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide?
4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide has a molecular weight of 248.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide is sourced from PubChem (CID 116846526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).