(Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide

C11H14N2O — CID 134505058

IUPAC(Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide
SMILES[H]/N=C/N(C(=C)/C=C\C=C)C(=O)/C=C\C
InChIInChI=1S/C11H14N2O/c1-4-6-8-10(3)13(9-12)11(14)7-5-2/h4-9,12H,1,3H2,2H3/b7-5-,8-6-,12-9+
InChIKeyMMJDBGAZJCLFGM-VPHISVRJSA-N
MW190.25 g/mol
LogP2.25
Rot. Bonds5

About (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide

(Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide (PubChem CID 134505058) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide
PubChem CID134505058
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide
SMILES[H]/N=C/N(C(=C)/C=C\C=C)C(=O)/C=C\C
InChIInChI=1S/C11H14N2O/c1-4-6-8-10(3)13(9-12)11(14)7-5-2/h4-9,12H,1,3H2,2H3/b7-5-,8-6-,12-9+
InChIKeyMMJDBGAZJCLFGM-VPHISVRJSA-N
XLogP2.25
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide
CID 10932951
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
(Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide
CID 167044828
(3Z)-2-methylidenehexa-3,5-dien-1-imine
CID 145448043
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine
CID 123468656
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide?
The IUPAC name of (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide (CID 134505058) is (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide.
What is the SMILES notation for (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide?
The canonical SMILES for (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide is [H]/N=C/N(C(=C)/C=C\C=C)C(=O)/C=C\C.
What is the InChIKey of (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide?
The InChIKey is MMJDBGAZJCLFGM-VPHISVRJSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-6-8-10(3)13(9-12)11(14)7-5-2/h4-9,12H,1,3H2,2H3/b7-5-,8-6-,12-9+.
What are the key properties of (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide?
(Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide is sourced from PubChem (CID 134505058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).