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

C10H17NO2 — CID 87565794

IUPAC1-(diethylamino)prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC(C=C)N(CC)CC
InChIInChI=1S/C10H17NO2/c1-5-9(11(7-3)8-4)13-10(12)6-2/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyFVDPOTZMNHDAJM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds6

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

1-(diethylamino)prop-2-enyl prop-2-enoate (PubChem CID 87565794) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(diethylamino)prop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name1-(diethylamino)prop-2-enyl prop-2-enoate
PubChem CID87565794
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(diethylamino)prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC(C=C)N(CC)CC
InChIInChI=1S/C10H17NO2/c1-5-9(11(7-3)8-4)13-10(12)6-2/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyFVDPOTZMNHDAJM-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
[1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate
CID 54194729
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
CID 172734708
CID 172734708
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate
CID 170161205
1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine
CID 87224852
[1-(dimethylamino)-2-ethoxy-2-oxoethyl] prop-2-enoate
CID 174992318
(4-ethenyl-4-ethylhexa-1,5-dien-3-yl) prop-2-enoate
CID 175020682
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)prop-2-enyl prop-2-enoate?
The IUPAC name of 1-(diethylamino)prop-2-enyl prop-2-enoate (CID 87565794) is 1-(diethylamino)prop-2-enyl prop-2-enoate.
What is the SMILES notation for 1-(diethylamino)prop-2-enyl prop-2-enoate?
The canonical SMILES for 1-(diethylamino)prop-2-enyl prop-2-enoate is C=CC(=O)OC(C=C)N(CC)CC.
What is the InChIKey of 1-(diethylamino)prop-2-enyl prop-2-enoate?
The InChIKey is FVDPOTZMNHDAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-9(11(7-3)8-4)13-10(12)6-2/h5-6,9H,1-2,7-8H2,3-4H3.
What are the key properties of 1-(diethylamino)prop-2-enyl prop-2-enoate?
1-(diethylamino)prop-2-enyl prop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)prop-2-enyl prop-2-enoate is sourced from PubChem (CID 87565794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).