ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium

C13H24NORf- — CID 178150779

IUPACethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium
SMILESC=[C-]/C=C(\C(=C)C)C(=O)NC.CC.CC.[Rf]
InChIInChI=1S/C9H12NO.2C2H6.Rf/c1-5-6-8(7(2)3)9(11)10-4;2*1-2;/h6H,1-2H2,3-4H3,(H,10,11);2*1-2H3;/q-1;;;/b8-6+;;;
InChIKeyKJTOBGDUJNWGHA-LGSAIMRHSA-N
MW477.34 g/mol
LogP3.28
Rot. Bonds3

About ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium

ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium (PubChem CID 178150779) has the molecular formula C13H24NORf- and a molecular weight of 477.34 g/mol. Its IUPAC name is ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium.

Molecular Properties

Compound Nameethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium
PubChem CID178150779
Molecular FormulaC13H24NORf-
Molecular Weight477.34 g/mol
Exact Mass477.31
IUPAC Nameethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium
SMILESC=[C-]/C=C(\C(=C)C)C(=O)NC.CC.CC.[Rf]
InChIInChI=1S/C9H12NO.2C2H6.Rf/c1-5-6-8(7(2)3)9(11)10-4;2*1-2;/h6H,1-2H2,3-4H3,(H,10,11);2*1-2H3;/q-1;;;/b8-6+;;;
InChIKeyKJTOBGDUJNWGHA-LGSAIMRHSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethylprop-2-enamide;ethane
CID 142291054
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365
N,N'-di((113C)methyl)oxamide
CID 169438737
ethane;N'-methyloxamide
CID 176938398
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860
(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide
CID 162732474
N-methyl-2-methylidenepent-3-enamide
CID 123693857
N-methylmethanamine;bis(2-methylprop-2-enoic acid)
CID 175091080
N,2,3-trimethyl-4-oxohexa-2,5-dienamide
CID 141236596
N-ethenoxy-2-methylprop-2-enamide
CID 102118163
(2Z)-2-acetyl-N-methyl-4-pyridin-4-ylpenta-2,4-dienamide
CID 142897594

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium?
The IUPAC name of ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium (CID 178150779) is ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium.
What is the SMILES notation for ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium?
The canonical SMILES for ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium is C=[C-]/C=C(\C(=C)C)C(=O)NC.CC.CC.[Rf].
What is the InChIKey of ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium?
The InChIKey is KJTOBGDUJNWGHA-LGSAIMRHSA-N. The full InChI is InChI=1S/C9H12NO.2C2H6.Rf/c1-5-6-8(7(2)3)9(11)10-4;2*1-2;/h6H,1-2H2,3-4H3,(H,10,11);2*1-2H3;/q-1;;;/b8-6+;;;.
What are the key properties of ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium?
ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium has a molecular weight of 477.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-methyl-2-prop-1-en-2-ylpenta-2,4-dienamide;rutherfordium is sourced from PubChem (CID 178150779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).