(3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one

C8H11NO — CID 118908019

IUPAC(3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one
SMILESCN1C/C=C\C/C=C\C1=O
InChIInChI=1S/C8H11NO/c1-9-7-5-3-2-4-6-8(9)10/h3-6H,2,7H2,1H3/b5-3-,6-4-
InChIKeyHAYQNNJYERZREV-GLIMQPGKSA-N
MW137.18 g/mol
LogP0.96
Rot. Bonds

About (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one

(3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one (PubChem CID 118908019) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one.

Molecular Properties

Compound Name(3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one
PubChem CID118908019
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one
SMILESCN1C/C=C\C/C=C\C1=O
InChIInChI=1S/C8H11NO/c1-9-7-5-3-2-4-6-8(9)10/h3-6H,2,7H2,1H3/b5-3-,6-4-
InChIKeyHAYQNNJYERZREV-GLIMQPGKSA-N
XLogP0.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Prop-2-enoyl-2,3-dihydropyridin-6-one
CID 72205202
1-[(E)-but-2-enoyl]-2,3-dihydropyridin-6-one
CID 137631456
(E)-N,N-diethylbut-2-enamide
CID 5354453
(E)-N,N-diethyl-5-methylhex-2-enamide
CID 14340793
(E)-N,N-diethyl dec-2-enamide
CID 72548612
1-[(E)-4-(dimethylamino)but-2-enoyl]-2,3-dihydropyridin-6-one
CID 172441834
(E)-N,N-diethyl-7-iodohept-2-enamide
CID 13159339
(Z)-N,N-diethylhept-2-enamide
CID 162678727
2-Butenamide,n,n-diethyl-, (2e)-
CID 223376
(E)-N,N-dimethylpent-2-enamide
CID 12423232
1,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12662945
(E)-N,N-dimethylhex-2-enamide
CID 13508348

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one?
The IUPAC name of (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one (CID 118908019) is (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one.
What is the SMILES notation for (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one?
The canonical SMILES for (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one is CN1C/C=C\C/C=C\C1=O.
What is the InChIKey of (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one?
The InChIKey is HAYQNNJYERZREV-GLIMQPGKSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-7-5-3-2-4-6-8(9)10/h3-6H,2,7H2,1H3/b5-3-,6-4-.
What are the key properties of (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one?
(3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one has a molecular weight of 137.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one is sourced from PubChem (CID 118908019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).