ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide

C11H22N2O — CID 142506487

IUPACethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide
SMILESC=C(/C=C\NC)CCNC(C)=O.CC
InChIInChI=1S/C9H16N2O.C2H6/c1-8(4-6-10-3)5-7-11-9(2)12;1-2/h4,6,10H,1,5,7H2,2-3H3,(H,11,12);1-2H3/b6-4-;
InChIKeyVHSFUJPMSWYADK-YHSAGPEESA-N
MW198.31 g/mol
LogP1.83
Rot. Bonds5

About ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide

ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide (PubChem CID 142506487) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide
PubChem CID142506487
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide
SMILESC=C(/C=C\NC)CCNC(C)=O.CC
InChIInChI=1S/C9H16N2O.C2H6/c1-8(4-6-10-3)5-7-11-9(2)12;1-2/h4,6,10H,1,5,7H2,2-3H3,(H,11,12);1-2H3/b6-4-;
InChIKeyVHSFUJPMSWYADK-YHSAGPEESA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E)-3-methylbuta-1,3-dienyl]propanamide
CID 55298868
N-(n-butyl)-1,4-dihydronicotinamide
CID 129657459
N-[(E)-4-acetamidobut-3-enyl]acetamide
CID 14475984
N-(4-acetamidobut-3-enyl)acetamide
CID 54286517
N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide
CID 58621940
N-(5-acetamidopent-4-enyl)acetamide
CID 73663670
N-[(Z)-3-methylidenehex-1-enyl]acetamide
CID 88864394
(3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide
CID 89068370
N-[(E)-5-[[(Z)-prop-1-enyl]amino]pent-4-en-2-yl]propanamide
CID 89256545
N-(3-methylidenehex-1-enyl)acetamide
CID 90698982
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
N-(3-methylidenepent-1-enyl)acetamide
CID 123222904

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide?
The IUPAC name of ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide (CID 142506487) is ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide.
What is the SMILES notation for ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide?
The canonical SMILES for ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide is C=C(/C=C\NC)CCNC(C)=O.CC.
What is the InChIKey of ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide?
The InChIKey is VHSFUJPMSWYADK-YHSAGPEESA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-8(4-6-10-3)5-7-11-9(2)12;1-2/h4,6,10H,1,5,7H2,2-3H3,(H,11,12);1-2H3/b6-4-;.
What are the key properties of ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide?
ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide has a molecular weight of 198.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-5-(methylamino)-3-methylidenepent-4-enyl]acetamide is sourced from PubChem (CID 142506487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).