N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide

C9H10N2O — CID 163998961

IUPACN-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide
SMILESO=NN/C1=C/C/C=C\C=C/C=C1
InChIInChI=1S/C9H10N2O/c12-11-10-9-7-5-3-1-2-4-6-8-9/h1-5,7-8H,6H2,(H,10,12)/b3-1-,4-2-,7-5?,9-8+
InChIKeyUHFUPAAGBCYYAF-ZZPRUWFWSA-N
MW162.19 g/mol
LogP2.21
Rot. Bonds2

About N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide

N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide (PubChem CID 163998961) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide.

Molecular Properties

Compound NameN-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide
PubChem CID163998961
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide
SMILESO=NN/C1=C/C/C=C\C=C/C=C1
InChIInChI=1S/C9H10N2O/c12-11-10-9-7-5-3-1-2-4-6-8-9/h1-5,7-8H,6H2,(H,10,12)/b3-1-,4-2-,7-5?,9-8+
InChIKeyUHFUPAAGBCYYAF-ZZPRUWFWSA-N
XLogP2.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.21
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'}

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Related Compounds

N-cyclohepta-1,3,6-trien-1-ylnitrous amide
CID 144057034
N-[(3Z)-hexa-3,5-dien-3-yl]nitrous amide
CID 146388339
N-[[(3E)-hexa-3,5-dien-3-yl]amino]-N-methylnitrous amide
CID 163646341
[(1E,3Z,5Z,7Z)-cyclonona-1,3,5,7-tetraen-1-yl]hydrazine
CID 164096250

Frequently Asked Questions

What is the IUPAC name of N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide?
The IUPAC name of N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide (CID 163998961) is N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide.
What is the SMILES notation for N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide?
The canonical SMILES for N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide is O=NN/C1=C/C/C=C\C=C/C=C1.
What is the InChIKey of N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide?
The InChIKey is UHFUPAAGBCYYAF-ZZPRUWFWSA-N. The full InChI is InChI=1S/C9H10N2O/c12-11-10-9-7-5-3-1-2-4-6-8-9/h1-5,7-8H,6H2,(H,10,12)/b3-1-,4-2-,7-5?,9-8+.
What are the key properties of N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide?
N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide has a molecular weight of 162.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4Z,6Z)-cyclonona-1,4,6,8-tetraen-1-yl]nitrous amide is sourced from PubChem (CID 163998961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).