N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide

C14H20N2O — CID 168906180

IUPACN-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide
SMILESC=CC(=O)NCC(=N\C)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C14H20N2O/c1-6-8-9-12(11(3)4)13(15-5)10-16-14(17)7-2/h6-9H,2-3,10H2,1,4-5H3,(H,16,17)/b8-6-,12-9+,15-13+
InChIKeyRROXZXUTVPEONE-FOCRNAGCSA-N
MW232.33 g/mol
LogP2.44
Rot. Bonds6

About N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide

N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide (PubChem CID 168906180) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide
PubChem CID168906180
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide
SMILESC=CC(=O)NCC(=N\C)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C14H20N2O/c1-6-8-9-12(11(3)4)13(15-5)10-16-14(17)7-2/h6-9H,2-3,10H2,1,4-5H3,(H,16,17)/b8-6-,12-9+,15-13+
InChIKeyRROXZXUTVPEONE-FOCRNAGCSA-N
XLogP2.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
CID 145160973
N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide
CID 89005604
(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide
CID 176580787
N-[(4Z,6Z)-4-butan-2-yl-3-methylidene-2-methyliminodeca-4,6-dienyl]prop-2-enamide
CID 168906162
(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide
CID 142187285
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
N-[2-[(but-3-en-2-ylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide
CID 155201474
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
2-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 87325841
N-(4-methyl-2-methylidenepentyl)prop-2-enamide
CID 57407652
dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium
CID 139672556

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide?
The IUPAC name of N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide (CID 168906180) is N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide.
What is the SMILES notation for N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide?
The canonical SMILES for N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide is C=CC(=O)NCC(=N\C)/C(=C/C=C\C)C(=C)C.
What is the InChIKey of N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide?
The InChIKey is RROXZXUTVPEONE-FOCRNAGCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-6-8-9-12(11(3)4)13(15-5)10-16-14(17)7-2/h6-9H,2-3,10H2,1,4-5H3,(H,16,17)/b8-6-,12-9+,15-13+.
What are the key properties of N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide?
N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide has a molecular weight of 232.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide is sourced from PubChem (CID 168906180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).