5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide

C15H22N2O2 — CID 116846644

IUPAC5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide
SMILESCNNC(=O)CCCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H22N2O2/c1-16-17-15(18)7-3-2-5-12-8-9-14-13(11-12)6-4-10-19-14/h8-9,11,16H,2-7,10H2,1H3,(H,17,18)
InChIKeyOAJNTNUHXHMYDT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.98
Rot. Bonds6

About 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide

5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide (PubChem CID 116846644) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide
PubChem CID116846644
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide
SMILESCNNC(=O)CCCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H22N2O2/c1-16-17-15(18)7-3-2-5-12-8-9-14-13(11-12)6-4-10-19-14/h8-9,11,16H,2-7,10H2,1H3,(H,17,18)
InChIKeyOAJNTNUHXHMYDT-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide
CID 116846526
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
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
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
5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
CID 65441462
5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile
CID 82471341
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide (CID 116846644) is 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide is CNNC(=O)CCCCc1ccc2c(c1)CCCO2.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide?
The InChIKey is OAJNTNUHXHMYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-17-15(18)7-3-2-5-12-8-9-14-13(11-12)6-4-10-19-14/h8-9,11,16H,2-7,10H2,1H3,(H,17,18).
What are the key properties of 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide?
5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide has a molecular weight of 262.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide is sourced from PubChem (CID 116846644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).