N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide

C12H16N2O3 — CID 116847099

IUPACN'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide
SMILESCNNC(=O)C(C)c1cc2c(cc1C)OCO2
InChIInChI=1S/C12H16N2O3/c1-7-4-10-11(17-6-16-10)5-9(7)8(2)12(15)14-13-3/h4-5,8,13H,6H2,1-3H3,(H,14,15)
InChIKeySMYHKUFSPWRTCT-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.08
Rot. Bonds3

About N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide

N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide (PubChem CID 116847099) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide.

Molecular Properties

Compound NameN'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide
PubChem CID116847099
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide
SMILESCNNC(=O)C(C)c1cc2c(cc1C)OCO2
InChIInChI=1S/C12H16N2O3/c1-7-4-10-11(17-6-16-10)5-9(7)8(2)12(15)14-13-3/h4-5,8,13H,6H2,1-3H3,(H,14,15)
InChIKeySMYHKUFSPWRTCT-UHFFFAOYSA-N
XLogP1.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.08
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

2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
CID 116850457
2,2-dimethyl-3-(methylamino)-3-(6-methyl-1,3-benzodioxol-5-yl)propanoic acid
CID 116953267
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
1-(dimethylamino)-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-one
CID 116860007
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115164154
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
CID 116953026
1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
CID 116866355
3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
CID 116960192
2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide
CID 116848474
methyl 2-(6-bromo-1,3-benzodioxol-5-yl)propanoate
CID 105426519

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide?
The IUPAC name of N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide (CID 116847099) is N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide.
What is the SMILES notation for N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide?
The canonical SMILES for N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide is CNNC(=O)C(C)c1cc2c(cc1C)OCO2.
What is the InChIKey of N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide?
The InChIKey is SMYHKUFSPWRTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-4-10-11(17-6-16-10)5-9(7)8(2)12(15)14-13-3/h4-5,8,13H,6H2,1-3H3,(H,14,15).
What are the key properties of N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide?
N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide has a molecular weight of 236.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide is sourced from PubChem (CID 116847099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).