ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide

C13H25NO — CID 142368117

IUPACethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide
SMILESC=C.C=C(/C=C\C)CCC(=O)NC.CC
InChIInChI=1S/C9H15NO.C2H6.C2H4/c1-4-5-8(2)6-7-9(11)10-3;2*1-2/h4-5H,2,6-7H2,1,3H3,(H,10,11);1-2H3;1-2H2/b5-4-;;
InChIKeyUVMCHJCHLBXBSP-WNCVTPEDSA-N
MW211.35 g/mol
LogP3.47
Rot. Bonds4

About ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide

ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide (PubChem CID 142368117) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide.

Molecular Properties

Compound Nameethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide
PubChem CID142368117
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide
SMILESC=C.C=C(/C=C\C)CCC(=O)NC.CC
InChIInChI=1S/C9H15NO.C2H6.C2H4/c1-4-5-8(2)6-7-9(11)10-3;2*1-2/h4-5H,2,6-7H2,1,3H3,(H,10,11);1-2H3;1-2H2/b5-4-;;
InChIKeyUVMCHJCHLBXBSP-WNCVTPEDSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-N-methyldec-4-enamide
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N-(2-methylpropyl)deca-6,8-dienamide
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2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylacetamide
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(2E)-2-(3-fluoropropyl)-N-methylpenta-2,4-dienamide
CID 89341011
(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide
CID 130374426
4-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylpentanamide
CID 12977207
(4E)-N,N,4-trimethylhepta-4,6-dienamide
CID 13483540
N-isobutyl-4,6-decadienamide
CID 129651968
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CID 154533267

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide?
The IUPAC name of ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide (CID 142368117) is ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide.
What is the SMILES notation for ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide?
The canonical SMILES for ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide is C=C.C=C(/C=C\C)CCC(=O)NC.CC.
What is the InChIKey of ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide?
The InChIKey is UVMCHJCHLBXBSP-WNCVTPEDSA-N. The full InChI is InChI=1S/C9H15NO.C2H6.C2H4/c1-4-5-8(2)6-7-9(11)10-3;2*1-2/h4-5H,2,6-7H2,1,3H3,(H,10,11);1-2H3;1-2H2/b5-4-;;.
What are the key properties of ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide?
ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide is sourced from PubChem (CID 142368117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).