5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide

C15H20N4O2 — CID 63583170

IUPAC5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
SMILESCN(Cc1cccc(C#N)c1)CC1CCC(C(=O)NN)O1
InChIInChI=1S/C15H20N4O2/c1-19(9-12-4-2-3-11(7-12)8-16)10-13-5-6-14(21-13)15(20)18-17/h2-4,7,13-14H,5-6,9-10,17H2,1H3,(H,18,20)
InChIKeyIUSFQNKYHNGOHE-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.53
Rot. Bonds5

About 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide

5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide (PubChem CID 63583170) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
PubChem CID63583170
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
SMILESCN(Cc1cccc(C#N)c1)CC1CCC(C(=O)NN)O1
InChIInChI=1S/C15H20N4O2/c1-19(9-12-4-2-3-11(7-12)8-16)10-13-5-6-14(21-13)15(20)18-17/h2-4,7,13-14H,5-6,9-10,17H2,1H3,(H,18,20)
InChIKeyIUSFQNKYHNGOHE-UHFFFAOYSA-N
XLogP0.53
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
CID 63585387
5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578254
5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583144
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide
CID 63571424
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63585765
5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
CID 63099208
3-[[(2S,5R)-5-[[2-methoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]benzonitrile
CID 56897592
3-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344063
3-[[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344064

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide (CID 63583170) is 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide is CN(Cc1cccc(C#N)c1)CC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide?
The InChIKey is IUSFQNKYHNGOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19(9-12-4-2-3-11(7-12)8-16)10-13-5-6-14(21-13)15(20)18-17/h2-4,7,13-14H,5-6,9-10,17H2,1H3,(H,18,20).
What are the key properties of 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide?
5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide has a molecular weight of 288.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63583170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).