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

C13H18N2O2 — CID 116844990

IUPAC3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)CCc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H18N2O2/c1-15(14)13(16)7-5-10-4-6-12-11(9-10)3-2-8-17-12/h4,6,9H,2-3,5,7-8,14H2,1H3
InChIKeyVFXVGQKUKGMQMY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds3

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

3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide (PubChem CID 116844990) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
PubChem CID116844990
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
SMILESCN(N)C(=O)CCc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H18N2O2/c1-15(14)13(16)7-5-10-4-6-12-11(9-10)3-2-8-17-12/h4,6,9H,2-3,5,7-8,14H2,1H3
InChIKeyVFXVGQKUKGMQMY-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
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-(3,4-dihydro-2H-chromen-6-yl)-N-methylpentanehydrazide
CID 116845249
2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116849113
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide
CID 115173364
4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
CID 116845082
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide
CID 116846526
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide (CID 116844990) is 3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide is CN(N)C(=O)CCc1ccc2c(c1)CCCO2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide?
The InChIKey is VFXVGQKUKGMQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(14)13(16)7-5-10-4-6-12-11(9-10)3-2-8-17-12/h4,6,9H,2-3,5,7-8,14H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide?
3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide has a molecular weight of 234.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide is sourced from PubChem (CID 116844990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).