(3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide

C10H14N2O — CID 143183825

IUPAC(3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide
SMILESCC1/C=C\NC/C=C(C(N)=O)\C=C/1
InChIInChI=1S/C10H14N2O/c1-8-2-3-9(10(11)13)5-7-12-6-4-8/h2-6,8,12H,7H2,1H3,(H2,11,13)/b3-2-,6-4-,9-5+
InChIKeyIYLAJXQFKKNMRZ-SAKHIMIFSA-N
MW178.24 g/mol
LogP0.71
Rot. Bonds1

About (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide

(3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide (PubChem CID 143183825) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide.

Molecular Properties

Compound Name(3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide
PubChem CID143183825
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide
SMILESCC1/C=C\NC/C=C(C(N)=O)\C=C/1
InChIInChI=1S/C10H14N2O/c1-8-2-3-9(10(11)13)5-7-12-6-4-8/h2-6,8,12H,7H2,1H3,(H2,11,13)/b3-2-,6-4-,9-5+
InChIKeyIYLAJXQFKKNMRZ-SAKHIMIFSA-N
XLogP0.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide?
The IUPAC name of (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide (CID 143183825) is (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide.
What is the SMILES notation for (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide?
The canonical SMILES for (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide is CC1/C=C\NC/C=C(C(N)=O)\C=C/1.
What is the InChIKey of (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide?
The InChIKey is IYLAJXQFKKNMRZ-SAKHIMIFSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-2-3-9(10(11)13)5-7-12-6-4-8/h2-6,8,12H,7H2,1H3,(H2,11,13)/b3-2-,6-4-,9-5+.
What are the key properties of (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide?
(3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide has a molecular weight of 178.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide is sourced from PubChem (CID 143183825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).