(2E,6Z)-2,3-dimethyl-4,5-dihydroazocine

C9H13N — CID 142128584

IUPAC(2E,6Z)-2,3-dimethyl-4,5-dihydroazocine
SMILESC/C1=C(C)/N=C\C=C/CC1
InChIInChI=1S/C9H13N/c1-8-6-4-3-5-7-10-9(8)2/h3,5,7H,4,6H2,1-2H3/b5-3-,9-8-,10-7-
InChIKeyIDPVONIBFZLKKU-YRYBCDQBSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds

About (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine

(2E,6Z)-2,3-dimethyl-4,5-dihydroazocine (PubChem CID 142128584) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine.

Molecular Properties

Compound Name(2E,6Z)-2,3-dimethyl-4,5-dihydroazocine
PubChem CID142128584
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2E,6Z)-2,3-dimethyl-4,5-dihydroazocine
SMILESC/C1=C(C)/N=C\C=C/CC1
InChIInChI=1S/C9H13N/c1-8-6-4-3-5-7-10-9(8)2/h3,5,7H,4,6H2,1-2H3/b5-3-,9-8-,10-7-
InChIKeyIDPVONIBFZLKKU-YRYBCDQBSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine?
The IUPAC name of (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine (CID 142128584) is (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine.
What is the SMILES notation for (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine?
The canonical SMILES for (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine is C/C1=C(C)/N=C\C=C/CC1.
What is the InChIKey of (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine?
The InChIKey is IDPVONIBFZLKKU-YRYBCDQBSA-N. The full InChI is InChI=1S/C9H13N/c1-8-6-4-3-5-7-10-9(8)2/h3,5,7H,4,6H2,1-2H3/b5-3-,9-8-,10-7-.
What are the key properties of (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine?
(2E,6Z)-2,3-dimethyl-4,5-dihydroazocine has a molecular weight of 135.21 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-2,3-dimethyl-4,5-dihydroazocine is sourced from PubChem (CID 142128584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).