N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide

C9H12N2O — CID 177149114

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
SMILES[H]/N=C/C(=O)NC(/C=C\C=C)=C/C
InChIInChI=1S/C9H12N2O/c1-3-5-6-8(4-2)11-9(12)7-10/h3-7,10H,1H2,2H3,(H,11,12)/b6-5-,8-4+,10-7+
InChIKeyILLQOOORTJRVIT-GZBAQZRKSA-N
MW164.21 g/mol
LogP1.40
Rot. Bonds4

About N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide (PubChem CID 177149114) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
PubChem CID177149114
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
SMILES[H]/N=C/C(=O)NC(/C=C\C=C)=C/C
InChIInChI=1S/C9H12N2O/c1-3-5-6-8(4-2)11-9(12)7-10/h3-7,10H,1H2,2H3,(H,11,12)/b6-5-,8-4+,10-7+
InChIKeyILLQOOORTJRVIT-GZBAQZRKSA-N
XLogP1.40
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
CID 177149097
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide
CID 143464516
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
1,3-bis[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]urea
CID 134386892
(3Z)-2-methylidenehexa-3,5-dien-1-imine
CID 145448043
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
(2E,3E)-3-[[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 155110175

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide (CID 177149114) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide is [H]/N=C/C(=O)NC(/C=C\C=C)=C/C.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide?
The InChIKey is ILLQOOORTJRVIT-GZBAQZRKSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-5-6-8(4-2)11-9(12)7-10/h3-7,10H,1H2,2H3,(H,11,12)/b6-5-,8-4+,10-7+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide has a molecular weight of 164.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide is sourced from PubChem (CID 177149114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).