(E)-N,N'-bis(prop-2-enyl)but-2-enediamide

C10H14N2O2 — CID 6026599

IUPAC(E)-N,N'-bis(prop-2-enyl)but-2-enediamide
SMILESC=CCNC(=O)/C=C/C(=O)NCC=C
InChIInChI=1S/C10H14N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h3-6H,1-2,7-8H2,(H,11,13)(H,12,14)/b6-5+
InChIKeyVSMGIASVTLWTLP-AATRIKPKSA-N
MW194.23 g/mol
LogP0.15
Rot. Bonds6

About (E)-N,N'-bis(prop-2-enyl)but-2-enediamide

(E)-N,N'-bis(prop-2-enyl)but-2-enediamide (PubChem CID 6026599) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (E)-N,N'-bis(prop-2-enyl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-bis(prop-2-enyl)but-2-enediamide
PubChem CID6026599
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(E)-N,N'-bis(prop-2-enyl)but-2-enediamide
SMILESC=CCNC(=O)/C=C/C(=O)NCC=C
InChIInChI=1S/C10H14N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h3-6H,1-2,7-8H2,(H,11,13)(H,12,14)/b6-5+
InChIKeyVSMGIASVTLWTLP-AATRIKPKSA-N
XLogP0.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 95149
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N,N-`Bisacrylamido-1,3-propan
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N-Ethyl-2E,4E-hexadienamide
CID 11434990
(E)-4-(dimethylamino)-N-methylbut-2-enamide
CID 20813441
(2E,4E)-N-propylhexa-2,4-dienamide
CID 44443272
2-Butenamide, N-2-propenyl-
CID 5354840
(E)-N,N'-diisopropylbut-2-enediamide
CID 24973364
2-Butenamide, N-isopropyl
CID 11147721
(2E)-4-amino-N-methylbut-2-enamide hydrochloride
CID 122243080
(2E)-N-methyl-4-(methylamino)but-2-enamide hydrochloride
CID 134163228

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis(prop-2-enyl)but-2-enediamide?
The IUPAC name of (E)-N,N'-bis(prop-2-enyl)but-2-enediamide (CID 6026599) is (E)-N,N'-bis(prop-2-enyl)but-2-enediamide.
What is the SMILES notation for (E)-N,N'-bis(prop-2-enyl)but-2-enediamide?
The canonical SMILES for (E)-N,N'-bis(prop-2-enyl)but-2-enediamide is C=CCNC(=O)/C=C/C(=O)NCC=C.
What is the InChIKey of (E)-N,N'-bis(prop-2-enyl)but-2-enediamide?
The InChIKey is VSMGIASVTLWTLP-AATRIKPKSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h3-6H,1-2,7-8H2,(H,11,13)(H,12,14)/b6-5+.
What are the key properties of (E)-N,N'-bis(prop-2-enyl)but-2-enediamide?
(E)-N,N'-bis(prop-2-enyl)but-2-enediamide has a molecular weight of 194.23 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(prop-2-enyl)but-2-enediamide is sourced from PubChem (CID 6026599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).