acetamide;hepta-2,5-dienediamide

C9H15N3O3 — CID 174662620

IUPACacetamide;hepta-2,5-dienediamide
SMILESCC(N)=O.NC(=O)C=CCC=CC(N)=O
InChIInChI=1S/C7H10N2O2.C2H5NO/c8-6(10)4-2-1-3-5-7(9)11;1-2(3)4/h2-5H,1H2,(H2,8,10)(H2,9,11);1H3,(H2,3,4)
InChIKeyBOBIPARZBSSOBX-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.05
Rot. Bonds4

About acetamide;hepta-2,5-dienediamide

acetamide;hepta-2,5-dienediamide (PubChem CID 174662620) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is acetamide;hepta-2,5-dienediamide.

Molecular Properties

Compound Nameacetamide;hepta-2,5-dienediamide
PubChem CID174662620
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameacetamide;hepta-2,5-dienediamide
SMILESCC(N)=O.NC(=O)C=CCC=CC(N)=O
InChIInChI=1S/C7H10N2O2.C2H5NO/c8-6(10)4-2-1-3-5-7(9)11;1-2(3)4/h2-5H,1H2,(H2,8,10)(H2,9,11);1H3,(H2,3,4)
InChIKeyBOBIPARZBSSOBX-UHFFFAOYSA-N
XLogP-1.05
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

icosa-2,5,8,11,14,17-hexaenamide
CID 91451907
hepta-2,5-dienediamide;prop-2-enoic acid
CID 159289765
5-oxohex-2-enamide
CID 53395079
(E)-hex-2-enamide;hydrochloride
CID 141291310
(E)-4-bromobut-2-enamide;ethane
CID 145199796
acetamide;rhodium(2+)
CID 159449063
hex-2-enamide;2-methylprop-2-enamide
CID 174909220
[(Z)-4-amino-4-oxobut-2-enyl] acetate;ethane
CID 169106172
4-aminobut-2-enamide;hydrochloride
CID 171148089
hepta-2,5-dienediamide;N-(hydroxymethyl)prop-2-enamide
CID 163671957
(E)-4-(dimethylamino)but-2-enamide;methane
CID 155781638
4-(dimethylamino)but-2-enamide;hydrochloride
CID 175776064

Frequently Asked Questions

What is the IUPAC name of acetamide;hepta-2,5-dienediamide?
The IUPAC name of acetamide;hepta-2,5-dienediamide (CID 174662620) is acetamide;hepta-2,5-dienediamide.
What is the SMILES notation for acetamide;hepta-2,5-dienediamide?
The canonical SMILES for acetamide;hepta-2,5-dienediamide is CC(N)=O.NC(=O)C=CCC=CC(N)=O.
What is the InChIKey of acetamide;hepta-2,5-dienediamide?
The InChIKey is BOBIPARZBSSOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C2H5NO/c8-6(10)4-2-1-3-5-7(9)11;1-2(3)4/h2-5H,1H2,(H2,8,10)(H2,9,11);1H3,(H2,3,4).
What are the key properties of acetamide;hepta-2,5-dienediamide?
acetamide;hepta-2,5-dienediamide has a molecular weight of 213.24 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;hepta-2,5-dienediamide is sourced from PubChem (CID 174662620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).