N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide

C8H13N3O2 — CID 141139350

IUPACN-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(=O)/N=C/C
InChIInChI=1S/C8H13N3O2/c1-3-7(12)10-5-6-11-8(13)9-4-2/h3-4H,1,5-6H2,2H3,(H,10,12)(H,11,13)/b9-4+
InChIKeyPNXLYVJCNLVGNR-RUDMXATFSA-N
MW183.21 g/mol
LogP0.09
Rot. Bonds4

About N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide

N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide (PubChem CID 141139350) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
PubChem CID141139350
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(=O)/N=C/C
InChIInChI=1S/C8H13N3O2/c1-3-7(12)10-5-6-11-8(13)9-4-2/h3-4H,1,5-6H2,2H3,(H,10,12)(H,11,13)/b9-4+
InChIKeyPNXLYVJCNLVGNR-RUDMXATFSA-N
XLogP0.09
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium
CID 174542522
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
CID 141187712
1-ethenyl-3-ethylideneurea
CID 140971164
1-ethylidene-3-(methoxymethyl)urea
CID 174418231
4-(prop-2-enoylamino)butanamide
CID 60864661
N-butylprop-2-enamide;hydrofluoride
CID 174533496
molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene
CID 143781918
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide (CID 141139350) is N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide is C=CC(=O)NCCNC(=O)/N=C/C.
What is the InChIKey of N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide?
The InChIKey is PNXLYVJCNLVGNR-RUDMXATFSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-7(12)10-5-6-11-8(13)9-4-2/h3-4H,1,5-6H2,2H3,(H,10,12)(H,11,13)/b9-4+.
What are the key properties of N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide?
N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide has a molecular weight of 183.21 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 141139350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).