N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide

C6H10N2O — CID 146388339

IUPACN-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide
SMILESC=C/C=C(/CC)NN=O
InChIInChI=1S/C6H10N2O/c1-3-5-6(4-2)7-8-9/h3,5H,1,4H2,2H3,(H,7,9)/b6-5-
InChIKeyFWNPQUAZDTVDLF-WAYWQWQTSA-N
MW126.16 g/mol
LogP1.74
Rot. Bonds4

About N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide

N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide (PubChem CID 146388339) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide.

Molecular Properties

Compound NameN-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide
PubChem CID146388339
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide
SMILESC=C/C=C(/CC)NN=O
InChIInChI=1S/C6H10N2O/c1-3-5-6(4-2)7-8-9/h3,5H,1,4H2,2H3,(H,7,9)/b6-5-
InChIKeyFWNPQUAZDTVDLF-WAYWQWQTSA-N
XLogP1.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide?
The IUPAC name of N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide (CID 146388339) is N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide.
What is the SMILES notation for N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide?
The canonical SMILES for N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide is C=C/C=C(/CC)NN=O.
What is the InChIKey of N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide?
The InChIKey is FWNPQUAZDTVDLF-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-6(4-2)7-8-9/h3,5H,1,4H2,2H3,(H,7,9)/b6-5-.
What are the key properties of N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide?
N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide has a molecular weight of 126.16 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide is sourced from PubChem (CID 146388339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).