ethane;4-methylbenzohydrazide

C10H16N2O — CID 143952809

IUPACethane;4-methylbenzohydrazide
SMILESCC.Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C8H10N2O.C2H6/c1-6-2-4-7(5-3-6)8(11)10-9;1-2/h2-5H,9H2,1H3,(H,10,11);1-2H3
InChIKeyKVCIBEIOHFWIOT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds1

About ethane;4-methylbenzohydrazide

ethane;4-methylbenzohydrazide (PubChem CID 143952809) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;4-methylbenzohydrazide.

Molecular Properties

Compound Nameethane;4-methylbenzohydrazide
PubChem CID143952809
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameethane;4-methylbenzohydrazide
SMILESCC.Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C8H10N2O.C2H6/c1-6-2-4-7(5-3-6)8(11)10-9;1-2/h2-5H,9H2,1H3,(H,10,11);1-2H3
InChIKeyKVCIBEIOHFWIOT-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
(4-methylbenzoyl)carbamic acid
CID 89120559
4-fluorobenzohydrazide
CID 9972
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
N'-(2-bromoacetyl)-4-methylbenzohydrazide
CID 54560868
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
benzohydrazide;propane
CID 90709051
4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide
CID 88534888
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N,4-dimethylbenzamide;ethane;toluene
CID 143677670

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylbenzohydrazide?
The IUPAC name of ethane;4-methylbenzohydrazide (CID 143952809) is ethane;4-methylbenzohydrazide.
What is the SMILES notation for ethane;4-methylbenzohydrazide?
The canonical SMILES for ethane;4-methylbenzohydrazide is CC.Cc1ccc(C(=O)NN)cc1.
What is the InChIKey of ethane;4-methylbenzohydrazide?
The InChIKey is KVCIBEIOHFWIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C2H6/c1-6-2-4-7(5-3-6)8(11)10-9;1-2/h2-5H,9H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;4-methylbenzohydrazide?
ethane;4-methylbenzohydrazide has a molecular weight of 180.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylbenzohydrazide is sourced from PubChem (CID 143952809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).