(E)-N-diazenyl-3-methylhept-2-enamide

C8H15N3O — CID 137148399

IUPAC(E)-N-diazenyl-3-methylhept-2-enamide
SMILES[H]/N=N/NC(=O)/C=C(\C)CCCC
InChIInChI=1S/C8H15N3O/c1-3-4-5-7(2)6-8(12)10-11-9/h6H,3-5H2,1-2H3,(H2,9,10,12)/b7-6+
InChIKeyHHGBTNNZYGZICY-VOTSOKGWSA-N
MW169.23 g/mol
LogP2.19
Rot. Bonds5

About (E)-N-diazenyl-3-methylhept-2-enamide

(E)-N-diazenyl-3-methylhept-2-enamide (PubChem CID 137148399) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (E)-N-diazenyl-3-methylhept-2-enamide.

Molecular Properties

Compound Name(E)-N-diazenyl-3-methylhept-2-enamide
PubChem CID137148399
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(E)-N-diazenyl-3-methylhept-2-enamide
SMILES[H]/N=N/NC(=O)/C=C(\C)CCCC
InChIInChI=1S/C8H15N3O/c1-3-4-5-7(2)6-8(12)10-11-9/h6H,3-5H2,1-2H3,(H2,9,10,12)/b7-6+
InChIKeyHHGBTNNZYGZICY-VOTSOKGWSA-N
XLogP2.19
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-N-diazenyl-3-methylhept-2-enamide?
The IUPAC name of (E)-N-diazenyl-3-methylhept-2-enamide (CID 137148399) is (E)-N-diazenyl-3-methylhept-2-enamide.
What is the SMILES notation for (E)-N-diazenyl-3-methylhept-2-enamide?
The canonical SMILES for (E)-N-diazenyl-3-methylhept-2-enamide is [H]/N=N/NC(=O)/C=C(\C)CCCC.
What is the InChIKey of (E)-N-diazenyl-3-methylhept-2-enamide?
The InChIKey is HHGBTNNZYGZICY-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-5-7(2)6-8(12)10-11-9/h6H,3-5H2,1-2H3,(H2,9,10,12)/b7-6+.
What are the key properties of (E)-N-diazenyl-3-methylhept-2-enamide?
(E)-N-diazenyl-3-methylhept-2-enamide has a molecular weight of 169.23 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diazenyl-3-methylhept-2-enamide is sourced from PubChem (CID 137148399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).