1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate

C9H14N2O3 — CID 141187712

IUPAC1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CNC(=O)N=CC
InChIInChI=1S/C9H14N2O3/c1-4-8(12)14-7(3)6-11-9(13)10-5-2/h4-5,7H,1,6H2,2-3H3,(H,11,13)
InChIKeyXYXIHFFWNRSRFP-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.90
Rot. Bonds4

About 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate

1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate (PubChem CID 141187712) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
PubChem CID141187712
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CNC(=O)N=CC
InChIInChI=1S/C9H14N2O3/c1-4-8(12)14-7(3)6-11-9(13)10-5-2/h4-5,7H,1,6H2,2-3H3,(H,11,13)
InChIKeyXYXIHFFWNRSRFP-UHFFFAOYSA-N
XLogP0.90
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(ethylidenecarbamoylamino)ethyl prop-2-enoate
CID 174667528
1-[1-[1-(prop-2-enoylamino)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 143697659
1-(butoxycarbonylamino)propan-2-yl prop-2-enoate
CID 141221847
1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
CID 141038512
CID 172734708
CID 172734708
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
CID 141139350
1-(trifluoromethylsulfonylamino)propan-2-yl prop-2-enoate
CID 134465567
5-methylhexan-2-yl prop-2-enoate
CID 151222941
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526

Frequently Asked Questions

What is the IUPAC name of 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate?
The IUPAC name of 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate (CID 141187712) is 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate?
The canonical SMILES for 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate is C=CC(=O)OC(C)CNC(=O)N=CC.
What is the InChIKey of 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate?
The InChIKey is XYXIHFFWNRSRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-8(12)14-7(3)6-11-9(13)10-5-2/h4-5,7H,1,6H2,2-3H3,(H,11,13).
What are the key properties of 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate?
1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate is sourced from PubChem (CID 141187712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).