1-(dimethylamino)prop-2-enyl prop-2-enoate

C8H13NO2 — CID 87262615

IUPAC1-(dimethylamino)prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC(C=C)N(C)C
InChIInChI=1S/C8H13NO2/c1-5-7(9(3)4)11-8(10)6-2/h5-7H,1-2H2,3-4H3
InChIKeyLRAFBSOENUYYSC-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.79
Rot. Bonds4

About 1-(dimethylamino)prop-2-enyl prop-2-enoate

1-(dimethylamino)prop-2-enyl prop-2-enoate (PubChem CID 87262615) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(dimethylamino)prop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name1-(dimethylamino)prop-2-enyl prop-2-enoate
PubChem CID87262615
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(dimethylamino)prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC(C=C)N(C)C
InChIInChI=1S/C8H13NO2/c1-5-7(9(3)4)11-8(10)6-2/h5-7H,1-2H2,3-4H3
InChIKeyLRAFBSOENUYYSC-UHFFFAOYSA-N
XLogP0.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(diethylamino)prop-2-enyl prop-2-enoate
CID 87565794
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
CID 87224963
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
[1-(dimethylamino)-2-ethoxy-2-oxoethyl] prop-2-enoate
CID 174992318
2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
CID 174598026
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-aminopropyl prop-2-enoate;2-(dimethylamino)propanoic acid
CID 174713599
1-silylprop-2-enyl prop-2-enoate
CID 173000207
1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
4,4-dimethylpent-1-en-3-yl prop-2-enoate
CID 10749625

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)prop-2-enyl prop-2-enoate?
The IUPAC name of 1-(dimethylamino)prop-2-enyl prop-2-enoate (CID 87262615) is 1-(dimethylamino)prop-2-enyl prop-2-enoate.
What is the SMILES notation for 1-(dimethylamino)prop-2-enyl prop-2-enoate?
The canonical SMILES for 1-(dimethylamino)prop-2-enyl prop-2-enoate is C=CC(=O)OC(C=C)N(C)C.
What is the InChIKey of 1-(dimethylamino)prop-2-enyl prop-2-enoate?
The InChIKey is LRAFBSOENUYYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-7(9(3)4)11-8(10)6-2/h5-7H,1-2H2,3-4H3.
What are the key properties of 1-(dimethylamino)prop-2-enyl prop-2-enoate?
1-(dimethylamino)prop-2-enyl prop-2-enoate has a molecular weight of 155.20 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)prop-2-enyl prop-2-enoate is sourced from PubChem (CID 87262615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).