(4Z,7Z)-3,6,6-trimethyl-3H-azocine

C10H15N — CID 89308172

IUPAC(4Z,7Z)-3,6,6-trimethyl-3H-azocine
SMILESCC1/C=C\C(C)(C)/C=C\N=C/1
InChIInChI=1S/C10H15N/c1-9-4-5-10(2,3)6-7-11-8-9/h4-9H,1-3H3/b5-4-,7-6-,11-8-
InChIKeyWAPQMXONFUXBGL-WUIHLBFQSA-N
MW149.24 g/mol
LogP2.80
Rot. Bonds

About (4Z,7Z)-3,6,6-trimethyl-3H-azocine

(4Z,7Z)-3,6,6-trimethyl-3H-azocine (PubChem CID 89308172) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (4Z,7Z)-3,6,6-trimethyl-3H-azocine.

Molecular Properties

Compound Name(4Z,7Z)-3,6,6-trimethyl-3H-azocine
PubChem CID89308172
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(4Z,7Z)-3,6,6-trimethyl-3H-azocine
SMILESCC1/C=C\C(C)(C)/C=C\N=C/1
InChIInChI=1S/C10H15N/c1-9-4-5-10(2,3)6-7-11-8-9/h4-9H,1-3H3/b5-4-,7-6-,11-8-
InChIKeyWAPQMXONFUXBGL-WUIHLBFQSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z)-3,6,6-trimethyl-3H-azocine?
The IUPAC name of (4Z,7Z)-3,6,6-trimethyl-3H-azocine (CID 89308172) is (4Z,7Z)-3,6,6-trimethyl-3H-azocine.
What is the SMILES notation for (4Z,7Z)-3,6,6-trimethyl-3H-azocine?
The canonical SMILES for (4Z,7Z)-3,6,6-trimethyl-3H-azocine is CC1/C=C\C(C)(C)/C=C\N=C/1.
What is the InChIKey of (4Z,7Z)-3,6,6-trimethyl-3H-azocine?
The InChIKey is WAPQMXONFUXBGL-WUIHLBFQSA-N. The full InChI is InChI=1S/C10H15N/c1-9-4-5-10(2,3)6-7-11-8-9/h4-9H,1-3H3/b5-4-,7-6-,11-8-.
What are the key properties of (4Z,7Z)-3,6,6-trimethyl-3H-azocine?
(4Z,7Z)-3,6,6-trimethyl-3H-azocine has a molecular weight of 149.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z)-3,6,6-trimethyl-3H-azocine is sourced from PubChem (CID 89308172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).