prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate

C10H17NO2 — CID 87182832

IUPACprop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate
SMILESC=CCOC(=O)C(=C)CCN(C)C
InChIInChI=1S/C10H17NO2/c1-5-8-13-10(12)9(2)6-7-11(3)4/h5H,1-2,6-8H2,3-4H3
InChIKeyPXGFZNKSQBXNNM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds6

About prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate

prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate (PubChem CID 87182832) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate.

Molecular Properties

Compound Nameprop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate
PubChem CID87182832
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameprop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate
SMILESC=CCOC(=O)C(=C)CCN(C)C
InChIInChI=1S/C10H17NO2/c1-5-8-13-10(12)9(2)6-7-11(3)4/h5H,1-2,6-8H2,3-4H3
InChIKeyPXGFZNKSQBXNNM-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-methylidenebutanoate
CID 12684713
(dimethylamino)methyl 2-methylidenehex-5-enoate;hydrochloride
CID 173004209
prop-2-enyl 2-(fluoromethyl)prop-2-enoate
CID 67041234
4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
CID 87438764
prop-2-enyl 2-(acetyloxymethyl)prop-2-enoate
CID 87121209
4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride
CID 87206674
1-O-but-2-enyl 4-O-prop-2-enyl 2-methylidenebutanedioate
CID 175499446
ethyl 2-methylidenehex-5-enoate
CID 10855685
prop-2-enyl 3-[2-[2-[bis(3-oxo-3-prop-2-enoxypropyl)amino]ethyl-methylamino]ethyl-(3-oxo-3-prop-2-enoxypropyl)amino]propanoate
CID 176769454
2-chloropropane;4-(dimethylamino)-2-methylidenebutanoic acid
CID 87787659
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-oxo-2-prop-2-enoxyacetate
CID 18533281

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate?
The IUPAC name of prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate (CID 87182832) is prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate.
What is the SMILES notation for prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate?
The canonical SMILES for prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate is C=CCOC(=O)C(=C)CCN(C)C.
What is the InChIKey of prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate?
The InChIKey is PXGFZNKSQBXNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-8-13-10(12)9(2)6-7-11(3)4/h5H,1-2,6-8H2,3-4H3.
What are the key properties of prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate?
prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate has a molecular weight of 183.25 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate is sourced from PubChem (CID 87182832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).