(NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide

C7H8N2O — CID 56980828

IUPAC(NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide
SMILESO=N/N=C\C1C=CC=CC1
InChIInChI=1S/C7H8N2O/c10-9-8-6-7-4-2-1-3-5-7/h1-4,6-7H,5H2/b8-6-
InChIKeyRBOJBEYWTCXPJF-VURMDHGXSA-N
MW136.15 g/mol
LogP1.87
Rot. Bonds2

About (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide

(NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide (PubChem CID 56980828) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide.

Molecular Properties

Compound Name(NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide
PubChem CID56980828
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide
SMILESO=N/N=C\C1C=CC=CC1
InChIInChI=1S/C7H8N2O/c10-9-8-6-7-4-2-1-3-5-7/h1-4,6-7H,5H2/b8-6-
InChIKeyRBOJBEYWTCXPJF-VURMDHGXSA-N
XLogP1.87
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide?
The IUPAC name of (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide (CID 56980828) is (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide.
What is the SMILES notation for (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide?
The canonical SMILES for (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide is O=N/N=C\C1C=CC=CC1.
What is the InChIKey of (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide?
The InChIKey is RBOJBEYWTCXPJF-VURMDHGXSA-N. The full InChI is InChI=1S/C7H8N2O/c10-9-8-6-7-4-2-1-3-5-7/h1-4,6-7H,5H2/b8-6-.
What are the key properties of (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide?
(NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide has a molecular weight of 136.15 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(cyclohexa-2,4-dien-1-ylmethylidene)nitrous amide is sourced from PubChem (CID 56980828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).