N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide

C12H22N4O3 — CID 163381091

IUPACN-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide
SMILESC/C=C\C(=O)CN(C=O)CCCCCC(=O)NNN
InChIInChI=1S/C12H22N4O3/c1-2-6-11(18)9-16(10-17)8-5-3-4-7-12(19)14-15-13/h2,6,10,15H,3-5,7-9,13H2,1H3,(H,14,19)/b6-2-
InChIKeyFIYAMWUESPLPQA-KXFIGUGUSA-N
MW270.33 g/mol
LogP-0.36
Rot. Bonds11

About N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide

N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide (PubChem CID 163381091) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide.

Molecular Properties

Compound NameN-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide
PubChem CID163381091
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide
SMILESC/C=C\C(=O)CN(C=O)CCCCCC(=O)NNN
InChIInChI=1S/C12H22N4O3/c1-2-6-11(18)9-16(10-17)8-5-3-4-7-12(19)14-15-13/h2,6,10,15H,3-5,7-9,13H2,1H3,(H,14,19)/b6-2-
InChIKeyFIYAMWUESPLPQA-KXFIGUGUSA-N
XLogP-0.36
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide
CID 156883011
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
7-(dimethylamino)hept-2-en-4-one
CID 173414808
(Z)-N-formyl-N-(6-oxoheptyl)but-2-enamide
CID 142430846
(E)-5-oxooct-6-enal
CID 14790918
12-methyltridec-2-en-4-one
CID 123882041
nonadeca-2,12-dien-4-one
CID 151605854
6-[3-(diethylamino)propyl-ethylamino]hexanehydrazide
CID 102998195
4-[formyl-[2-(methylamino)ethyl]amino]butanoic acid
CID 121478834
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide?
The IUPAC name of N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide (CID 163381091) is N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide.
What is the SMILES notation for N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide?
The canonical SMILES for N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide is C/C=C\C(=O)CN(C=O)CCCCCC(=O)NNN.
What is the InChIKey of N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide?
The InChIKey is FIYAMWUESPLPQA-KXFIGUGUSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-2-6-11(18)9-16(10-17)8-5-3-4-7-12(19)14-15-13/h2,6,10,15H,3-5,7-9,13H2,1H3,(H,14,19)/b6-2-.
What are the key properties of N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide?
N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide has a molecular weight of 270.33 g/mol, XLogP of -0.36, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminohydrazinyl)-6-oxohexyl]-N-[(Z)-2-oxopent-3-enyl]formamide is sourced from PubChem (CID 163381091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).