(1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide

C15H25N3O — CID 177166188

IUPAC(1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide
SMILESNNCCCCCCNC(=O)C1=C/CC/C=C/C=C\1
InChIInChI=1S/C15H25N3O/c16-18-13-9-5-4-8-12-17-15(19)14-10-6-2-1-3-7-11-14/h1-2,6,10-11,18H,3-5,7-9,12-13,16H2,(H,17,19)/b2-1-,10-6-,14-11+
InChIKeyRBXLATQPUHDSJZ-NWBZXLDSSA-N
MW263.38 g/mol
LogP1.96
Rot. Bonds8

About (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide

(1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide (PubChem CID 177166188) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide.

Molecular Properties

Compound Name(1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide
PubChem CID177166188
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide
SMILESNNCCCCCCNC(=O)C1=C/CC/C=C/C=C\1
InChIInChI=1S/C15H25N3O/c16-18-13-9-5-4-8-12-17-15(19)14-10-6-2-1-3-7-11-14/h1-2,6,10-11,18H,3-5,7-9,12-13,16H2,(H,17,19)/b2-1-,10-6-,14-11+
InChIKeyRBXLATQPUHDSJZ-NWBZXLDSSA-N
XLogP1.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide?
The IUPAC name of (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide (CID 177166188) is (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide.
What is the SMILES notation for (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide?
The canonical SMILES for (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide is NNCCCCCCNC(=O)C1=C/CC/C=C/C=C\1.
What is the InChIKey of (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide?
The InChIKey is RBXLATQPUHDSJZ-NWBZXLDSSA-N. The full InChI is InChI=1S/C15H25N3O/c16-18-13-9-5-4-8-12-17-15(19)14-10-6-2-1-3-7-11-14/h1-2,6,10-11,18H,3-5,7-9,12-13,16H2,(H,17,19)/b2-1-,10-6-,14-11+.
What are the key properties of (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide?
(1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide is sourced from PubChem (CID 177166188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).