[methyl(propyl)amino] 2-methylbut-2-enoate

C9H17NO2 — CID 174771012

IUPAC[methyl(propyl)amino] 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)ON(C)CCC
InChIInChI=1S/C9H17NO2/c1-5-7-10(4)12-9(11)8(3)6-2/h6H,5,7H2,1-4H3
InChIKeyNDQQICBKRYAJDZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.75
Rot. Bonds4

About [methyl(propyl)amino] 2-methylbut-2-enoate

[methyl(propyl)amino] 2-methylbut-2-enoate (PubChem CID 174771012) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [methyl(propyl)amino] 2-methylbut-2-enoate.

Molecular Properties

Compound Name[methyl(propyl)amino] 2-methylbut-2-enoate
PubChem CID174771012
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[methyl(propyl)amino] 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)ON(C)CCC
InChIInChI=1S/C9H17NO2/c1-5-7-10(4)12-9(11)8(3)6-2/h6H,5,7H2,1-4H3
InChIKeyNDQQICBKRYAJDZ-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(dibutylamino) 2-methylbut-2-enoate
CID 174778974
chloromethane;dimethylamino (E)-2-methylbut-2-enoate
CID 88606182
[ethyl(methyl)amino] 2-methylpent-2-enoate
CID 174359164
(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate
CID 174759101
diethylamino 2-acetylbut-2-enoate
CID 174392869
[methyl(tridecyl)amino] acetate
CID 87650867
ethanamine;methyl 2-methylbut-2-enoate
CID 175288046
[methyl(propyl)amino] benzoate
CID 87875558
3-(diethylamino)propyl 2-methylbut-2-enoate
CID 150789406
undecyl (E)-2-methylbut-2-enoate
CID 91701896
hydroxymethyl (E)-2-methylbut-2-enoate
CID 87487357
dimethylamino 2-methyltricos-2-enoate
CID 174950985

Frequently Asked Questions

What is the IUPAC name of [methyl(propyl)amino] 2-methylbut-2-enoate?
The IUPAC name of [methyl(propyl)amino] 2-methylbut-2-enoate (CID 174771012) is [methyl(propyl)amino] 2-methylbut-2-enoate.
What is the SMILES notation for [methyl(propyl)amino] 2-methylbut-2-enoate?
The canonical SMILES for [methyl(propyl)amino] 2-methylbut-2-enoate is CC=C(C)C(=O)ON(C)CCC.
What is the InChIKey of [methyl(propyl)amino] 2-methylbut-2-enoate?
The InChIKey is NDQQICBKRYAJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-7-10(4)12-9(11)8(3)6-2/h6H,5,7H2,1-4H3.
What are the key properties of [methyl(propyl)amino] 2-methylbut-2-enoate?
[methyl(propyl)amino] 2-methylbut-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propyl)amino] 2-methylbut-2-enoate is sourced from PubChem (CID 174771012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).