2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide

C13H19N3O2 — CID 116849113

IUPAC2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)C(N)Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19N3O2/c1-16(15)13(17)11(14)8-9-4-5-12-10(7-9)3-2-6-18-12/h4-5,7,11H,2-3,6,8,14-15H2,1H3
InChIKeyVFZYGZJQWJEJJC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.21
Rot. Bonds3

About 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide

2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide (PubChem CID 116849113) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
PubChem CID116849113
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)C(N)Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19N3O2/c1-16(15)13(17)11(14)8-9-4-5-12-10(7-9)3-2-6-18-12/h4-5,7,11H,2-3,6,8,14-15H2,1H3
InChIKeyVFZYGZJQWJEJJC-UHFFFAOYSA-N
XLogP0.21
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116844990
5-(3,4-dihydro-2H-chromen-6-yl)-N-methylpentanehydrazide
CID 116845249
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
CID 115153584
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
methyl 3-(3,4-dihydro-2H-chromen-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135238814
(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide?
The IUPAC name of 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide (CID 116849113) is 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide.
What is the SMILES notation for 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide?
The canonical SMILES for 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide is CN(N)C(=O)C(N)Cc1ccc2c(c1)CCCO2.
What is the InChIKey of 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide?
The InChIKey is VFZYGZJQWJEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(15)13(17)11(14)8-9-4-5-12-10(7-9)3-2-6-18-12/h4-5,7,11H,2-3,6,8,14-15H2,1H3.
What are the key properties of 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide?
2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide has a molecular weight of 249.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide is sourced from PubChem (CID 116849113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).