azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride

C8H18ClNO2 — CID 174493764

IUPACazane;methyl 2,3-dimethylpent-2-enoate;hydrochloride
SMILESCCC(C)=C(C)C(=O)OC.Cl.N
InChIInChI=1S/C8H14O2.ClH.H3N/c1-5-6(2)7(3)8(9)10-4;;/h5H2,1-4H3;1H;1H3
InChIKeyKAIFVJATVLUISD-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.49
Rot. Bonds2

About azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride

azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride (PubChem CID 174493764) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride.

Molecular Properties

Compound Nameazane;methyl 2,3-dimethylpent-2-enoate;hydrochloride
PubChem CID174493764
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nameazane;methyl 2,3-dimethylpent-2-enoate;hydrochloride
SMILESCCC(C)=C(C)C(=O)OC.Cl.N
InChIInChI=1S/C8H14O2.ClH.H3N/c1-5-6(2)7(3)8(9)10-4;;/h5H2,1-4H3;1H;1H3
InChIKeyKAIFVJATVLUISD-UHFFFAOYSA-N
XLogP2.49
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019
azane;methyl 2,3-dimethylhenicos-2-enoate
CID 174823246
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550
methyl 2,3-dimethyltetradec-2-enoate
CID 175495328
methyl 6-amino-2,3-dimethylhex-2-enoate
CID 57195661
methyl 2-methyl-3-propylhex-2-enoate
CID 15856734
2-(2,3-dimethylpent-2-enoyloxyamino)-2-methylpropanoic acid
CID 174397998
dimethyl oxalate;hydrochloride
CID 172754902
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
methyl 7-hydroxy-6,6-bis(hydroxymethyl)-2,3-dimethylhept-2-enoate
CID 57005806
2-[(1-methoxy-2-methyl-1-oxopent-2-en-3-yl)amino]acetic acid
CID 173295752
dodecyl 2,3-dimethylpent-2-enoate
CID 175923005

Frequently Asked Questions

What is the IUPAC name of azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride?
The IUPAC name of azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride (CID 174493764) is azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride.
What is the SMILES notation for azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride?
The canonical SMILES for azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride is CCC(C)=C(C)C(=O)OC.Cl.N.
What is the InChIKey of azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride?
The InChIKey is KAIFVJATVLUISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.ClH.H3N/c1-5-6(2)7(3)8(9)10-4;;/h5H2,1-4H3;1H;1H3.
What are the key properties of azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride?
azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride is sourced from PubChem (CID 174493764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).