(5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one

C10H13NO — CID 143751663

IUPAC(5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one
SMILESC/C1=C\C=C/C=C/C(=O)CCN1
InChIInChI=1S/C10H13NO/c1-9-5-3-2-4-6-10(12)7-8-11-9/h2-6,11H,7-8H2,1H3/b3-2-,6-4+,9-5+
InChIKeyGWFXOOSOGXKAQC-HSPBAGEGSA-N
MW163.22 g/mol
LogP1.57
Rot. Bonds

About (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one

(5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one (PubChem CID 143751663) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one.

Molecular Properties

Compound Name(5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one
PubChem CID143751663
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one
SMILESC/C1=C\C=C/C=C/C(=O)CCN1
InChIInChI=1S/C10H13NO/c1-9-5-3-2-4-6-10(12)7-8-11-9/h2-6,11H,7-8H2,1H3/b3-2-,6-4+,9-5+
InChIKeyGWFXOOSOGXKAQC-HSPBAGEGSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonine
CID 89316667
(5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine
CID 143944984
cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one
CID 123633481
5-methylcyclohexa-2,4-dien-1-one
CID 12976806
cyclohexa-2,4-dien-1-one;octahydrate
CID 175148606
(1Z,3Z,5Z,7Z)-1,3-dimethylcycloocta-1,3,5,7-tetraene
CID 139752949
cyclohexadeca-2,4-dien-1-one
CID 154444863
(4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione
CID 89016434
5-methyl-3,4-dihydro-2H-1,4-oxazepin-7-one
CID 55288246
3,3,7-trimethyl-1,2-dihydroazepine
CID 129170627
4-methylcyclohexan-1-one;yttrium
CID 59299362
cyclohexa-3,5-diene-1,2-dione;piperazine
CID 174374612

Frequently Asked Questions

What is the IUPAC name of (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one?
The IUPAC name of (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one (CID 143751663) is (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one.
What is the SMILES notation for (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one?
The canonical SMILES for (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one is C/C1=C\C=C/C=C/C(=O)CCN1.
What is the InChIKey of (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one?
The InChIKey is GWFXOOSOGXKAQC-HSPBAGEGSA-N. The full InChI is InChI=1S/C10H13NO/c1-9-5-3-2-4-6-10(12)7-8-11-9/h2-6,11H,7-8H2,1H3/b3-2-,6-4+,9-5+.
What are the key properties of (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one?
(5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,9E)-10-methyl-2,3-dihydro-1H-azecin-4-one is sourced from PubChem (CID 143751663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).