ethane;(2E)-2-ethylidenehex-5-enamide

C12H25NO — CID 144971443

IUPACethane;(2E)-2-ethylidenehex-5-enamide
SMILESC=CCC/C(=C\C)C(N)=O.CC.CC
InChIInChI=1S/C8H13NO.2C2H6/c1-3-5-6-7(4-2)8(9)10;2*1-2/h3-4H,1,5-6H2,2H3,(H2,9,10);2*1-2H3/b7-4+;;
InChIKeyMXMIJJZJSYARMK-RDRKJGRWSA-N
MW199.34 g/mol
LogP3.44
Rot. Bonds4

About ethane;(2E)-2-ethylidenehex-5-enamide

ethane;(2E)-2-ethylidenehex-5-enamide (PubChem CID 144971443) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;(2E)-2-ethylidenehex-5-enamide.

Molecular Properties

Compound Nameethane;(2E)-2-ethylidenehex-5-enamide
PubChem CID144971443
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;(2E)-2-ethylidenehex-5-enamide
SMILESC=CCC/C(=C\C)C(N)=O.CC.CC
InChIInChI=1S/C8H13NO.2C2H6/c1-3-5-6-7(4-2)8(9)10;2*1-2/h3-4H,1,5-6H2,2H3,(H2,9,10);2*1-2H3/b7-4+;;
InChIKeyMXMIJJZJSYARMK-RDRKJGRWSA-N
XLogP3.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-ethylideneoctadecanamide
CID 141119567
nonadec-18-enamide
CID 166991988
(2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine
CID 89324964
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
bis(dodecanamide);hex-1-ene
CID 159337008
2-amino-2-methylhept-6-en-3-one
CID 116560102
N-carbamoylpent-4-enamide
CID 152780678
2-ethylidenenona-4,6,8-trienamide
CID 141190387
ethylideneurea;undec-10-enoic acid
CID 159342465
pent-4-enyl pent-4-enoate
CID 86018729
ethyl pent-4-enoate;dihydrochloride
CID 175912482
5-methylhepta-1,5-diene
CID 54049787

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethylidenehex-5-enamide?
The IUPAC name of ethane;(2E)-2-ethylidenehex-5-enamide (CID 144971443) is ethane;(2E)-2-ethylidenehex-5-enamide.
What is the SMILES notation for ethane;(2E)-2-ethylidenehex-5-enamide?
The canonical SMILES for ethane;(2E)-2-ethylidenehex-5-enamide is C=CCC/C(=C\C)C(N)=O.CC.CC.
What is the InChIKey of ethane;(2E)-2-ethylidenehex-5-enamide?
The InChIKey is MXMIJJZJSYARMK-RDRKJGRWSA-N. The full InChI is InChI=1S/C8H13NO.2C2H6/c1-3-5-6-7(4-2)8(9)10;2*1-2/h3-4H,1,5-6H2,2H3,(H2,9,10);2*1-2H3/b7-4+;;.
What are the key properties of ethane;(2E)-2-ethylidenehex-5-enamide?
ethane;(2E)-2-ethylidenehex-5-enamide has a molecular weight of 199.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethylidenehex-5-enamide is sourced from PubChem (CID 144971443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).