dimethylamino 2-methylidenepentanoate

C8H15NO2 — CID 19885812

IUPACdimethylamino 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)ON(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-7(2)8(10)11-9(3)4/h2,5-6H2,1,3-4H3
InChIKeyDPDDESPHLXECEG-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.36
Rot. Bonds4

About dimethylamino 2-methylidenepentanoate

dimethylamino 2-methylidenepentanoate (PubChem CID 19885812) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is dimethylamino 2-methylidenepentanoate.

Molecular Properties

Compound Namedimethylamino 2-methylidenepentanoate
PubChem CID19885812
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namedimethylamino 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)ON(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-7(2)8(10)11-9(3)4/h2,5-6H2,1,3-4H3
InChIKeyDPDDESPHLXECEG-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.36
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

1-O-(dimethylamino) 3-O-ethyl 2-methylidenepropanedioate
CID 175060878
bis(ethylsulfanyl)carbamothioyl 2-methylidenepentanoate
CID 87718442
4,5-dimethylideneoctane
CID 13294231
ethyl(2-methylidenehexanoyloxy)carbamic acid
CID 87855080
4-methylideneheptan-3-one
CID 13485259
nonyl 2-methylidenepentanoate
CID 90751965
chloromethane;dimethylamino 2-methylprop-2-enoate
CID 172778476
[dimethyl(trimethylsilyloxy)silyl] 2-methylidenepentanoate
CID 87217103
2-methylidenepentanoic acid;hydrate
CID 88770361
bis(N,N-dimethylmethanamine);bis(2-methylidenebutanoic acid);2-methylidenepentanoic acid;hydrochloride
CID 173194624
butanoyl 2-methylidenebutanoate
CID 170553268
2-methylidene-N,N-di(propan-2-yl)pentanamide
CID 87269106

Frequently Asked Questions

What is the IUPAC name of dimethylamino 2-methylidenepentanoate?
The IUPAC name of dimethylamino 2-methylidenepentanoate (CID 19885812) is dimethylamino 2-methylidenepentanoate.
What is the SMILES notation for dimethylamino 2-methylidenepentanoate?
The canonical SMILES for dimethylamino 2-methylidenepentanoate is C=C(CCC)C(=O)ON(C)C.
What is the InChIKey of dimethylamino 2-methylidenepentanoate?
The InChIKey is DPDDESPHLXECEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6-7(2)8(10)11-9(3)4/h2,5-6H2,1,3-4H3.
What are the key properties of dimethylamino 2-methylidenepentanoate?
dimethylamino 2-methylidenepentanoate has a molecular weight of 157.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 2-methylidenepentanoate is sourced from PubChem (CID 19885812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).