chloromethane;N',N'-dimethylprop-2-enehydrazide

C6H13ClN2O — CID 87229417

IUPACchloromethane;N',N'-dimethylprop-2-enehydrazide
SMILESC=CC(=O)NN(C)C.CCl
InChIInChI=1S/C5H10N2O.CH3Cl/c1-4-5(8)6-7(2)3;1-2/h4H,1H2,2-3H3,(H,6,8);1H3
InChIKeyGOLTUHZHXMYBSR-UHFFFAOYSA-N
MW164.64 g/mol
LogP0.62
Rot. Bonds2

About chloromethane;N',N'-dimethylprop-2-enehydrazide

chloromethane;N',N'-dimethylprop-2-enehydrazide (PubChem CID 87229417) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is chloromethane;N',N'-dimethylprop-2-enehydrazide.

Molecular Properties

Compound Namechloromethane;N',N'-dimethylprop-2-enehydrazide
PubChem CID87229417
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Namechloromethane;N',N'-dimethylprop-2-enehydrazide
SMILESC=CC(=O)NN(C)C.CCl
InChIInChI=1S/C5H10N2O.CH3Cl/c1-4-5(8)6-7(2)3;1-2/h4H,1H2,2-3H3,(H,6,8);1H3
InChIKeyGOLTUHZHXMYBSR-UHFFFAOYSA-N
XLogP0.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethane;N',N'-dimethylprop-2-enehydrazide?
The IUPAC name of chloromethane;N',N'-dimethylprop-2-enehydrazide (CID 87229417) is chloromethane;N',N'-dimethylprop-2-enehydrazide.
What is the SMILES notation for chloromethane;N',N'-dimethylprop-2-enehydrazide?
The canonical SMILES for chloromethane;N',N'-dimethylprop-2-enehydrazide is C=CC(=O)NN(C)C.CCl.
What is the InChIKey of chloromethane;N',N'-dimethylprop-2-enehydrazide?
The InChIKey is GOLTUHZHXMYBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.CH3Cl/c1-4-5(8)6-7(2)3;1-2/h4H,1H2,2-3H3,(H,6,8);1H3.
What are the key properties of chloromethane;N',N'-dimethylprop-2-enehydrazide?
chloromethane;N',N'-dimethylprop-2-enehydrazide has a molecular weight of 164.64 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;N',N'-dimethylprop-2-enehydrazide is sourced from PubChem (CID 87229417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).