3-[(dimethylamino)methyl]furan-2-carbohydrazide

C8H13N3O2 — CID 63571555

IUPAC3-[(dimethylamino)methyl]furan-2-carbohydrazide
SMILESCN(C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C8H13N3O2/c1-11(2)5-6-3-4-13-7(6)8(12)10-9/h3-4H,5,9H2,1-2H3,(H,10,12)
InChIKeyCWTVMXGMUPVNAX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.06
Rot. Bonds3

About 3-[(dimethylamino)methyl]furan-2-carbohydrazide

3-[(dimethylamino)methyl]furan-2-carbohydrazide (PubChem CID 63571555) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]furan-2-carbohydrazide
PubChem CID63571555
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[(dimethylamino)methyl]furan-2-carbohydrazide
SMILESCN(C)Cc1ccoc1C(=O)NN
InChIInChI=1S/C8H13N3O2/c1-11(2)5-6-3-4-13-7(6)8(12)10-9/h3-4H,5,9H2,1-2H3,(H,10,12)
InChIKeyCWTVMXGMUPVNAX-UHFFFAOYSA-N
XLogP-0.06
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.06
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

3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 63577197
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
CID 63571598
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]furan-2-carbohydrazide
CID 63573141
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
CID 81067916
3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 112666648
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63572264
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578786
3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63574156
3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79494200
3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide
CID 55214365
3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 79184345

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(dimethylamino)methyl]furan-2-carbohydrazide (CID 63571555) is 3-[(dimethylamino)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(dimethylamino)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(dimethylamino)methyl]furan-2-carbohydrazide is CN(C)Cc1ccoc1C(=O)NN.
What is the InChIKey of 3-[(dimethylamino)methyl]furan-2-carbohydrazide?
The InChIKey is CWTVMXGMUPVNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11(2)5-6-3-4-13-7(6)8(12)10-9/h3-4H,5,9H2,1-2H3,(H,10,12).
What are the key properties of 3-[(dimethylamino)methyl]furan-2-carbohydrazide?
3-[(dimethylamino)methyl]furan-2-carbohydrazide has a molecular weight of 183.21 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63571555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).