1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one

C13H22N2O — CID 22984690

IUPAC1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(C2CC=CC2)C1=O
InChIInChI=1S/C13H22N2O/c1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11/h3-4,10-12,14H,5-9H2,1-2H3
InChIKeyUEZRXMYJYOVYKQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.69
Rot. Bonds2

About 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one

1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984690) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one
PubChem CID22984690
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(C2CC=CC2)C1=O
InChIInChI=1S/C13H22N2O/c1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11/h3-4,10-12,14H,5-9H2,1-2H3
InChIKeyUEZRXMYJYOVYKQ-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-7-methyl-4-(methylamino)-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepin-5-one
CID 59976730
1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one
CID 22984643
1-(6-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22984752
1-ethyl-7-methyl-3-(methylamino)azepan-2-one
CID 22984860
1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 159464147
7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
CID 22985305
1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one
CID 157273264
6-acetyl-3-(methylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 58849777
4-cyclohept-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
CID 22984960
7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one
CID 22985312
1-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one
CID 20798925
1-cyclobut-2-en-1-yl-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 22984633

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one (CID 22984690) is 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)N(C2CC=CC2)C1=O.
What is the InChIKey of 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one?
The InChIKey is UEZRXMYJYOVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11/h3-4,10-12,14H,5-9H2,1-2H3.
What are the key properties of 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one?
1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).