1-(ethylidenecarbamoylamino)ethyl prop-2-enoate

C8H12N2O3 — CID 174667528

IUPAC1-(ethylidenecarbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(=O)N=CC
InChIInChI=1S/C8H12N2O3/c1-4-7(11)13-6(3)10-8(12)9-5-2/h4-6H,1H2,2-3H3,(H,10,12)
InChIKeyIBMMDRQFYNOTBO-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.86
Rot. Bonds3

About 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate

1-(ethylidenecarbamoylamino)ethyl prop-2-enoate (PubChem CID 174667528) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(ethylidenecarbamoylamino)ethyl prop-2-enoate
PubChem CID174667528
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(ethylidenecarbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(=O)N=CC
InChIInChI=1S/C8H12N2O3/c1-4-7(11)13-6(3)10-8(12)9-5-2/h4-6H,1H2,2-3H3,(H,10,12)
InChIKeyIBMMDRQFYNOTBO-UHFFFAOYSA-N
XLogP0.86
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
CID 141187712
1-(carbamoylamino)ethyl prop-2-enoate
CID 22146186
1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
CID 141038512
1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate
CID 141386439
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-(2,2-dimethylpropylamino)ethyl prop-2-enoate
CID 22901740
1-ethenyl-3-ethylideneurea
CID 140971164
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
CID 141139350

Frequently Asked Questions

What is the IUPAC name of 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate?
The IUPAC name of 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate (CID 174667528) is 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate?
The canonical SMILES for 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate is C=CC(=O)OC(C)NC(=O)N=CC.
What is the InChIKey of 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate?
The InChIKey is IBMMDRQFYNOTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-7(11)13-6(3)10-8(12)9-5-2/h4-6H,1H2,2-3H3,(H,10,12).
What are the key properties of 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate?
1-(ethylidenecarbamoylamino)ethyl prop-2-enoate has a molecular weight of 184.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylidenecarbamoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 174667528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).