1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one

C14H24N2O — CID 22984643

IUPAC1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one
SMILESCNC1CCCCN(C2CC=CCCC2)C1=O
InChIInChI=1S/C14H24N2O/c1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12/h2,4,12-13,15H,3,5-11H2,1H3
InChIKeyZFCYFHSEGKFDRX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.09
Rot. Bonds2

About 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one

1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one (PubChem CID 22984643) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one
PubChem CID22984643
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one
SMILESCNC1CCCCN(C2CC=CCCC2)C1=O
InChIInChI=1S/C14H24N2O/c1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12/h2,4,12-13,15H,3,5-11H2,1H3
InChIKeyZFCYFHSEGKFDRX-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.09
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

4-cyclohept-3-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
CID 22984960
1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one
CID 22984690
1-cyclohex-3-en-1-yl-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22984671
3-cyclohex-3-en-1-yl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985090
3-(methylamino)-1-(oxolan-3-yl)piperidin-2-one
CID 80715370
1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one
CID 161066266
1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one
CID 22984792
4-cyclohept-4-en-1-yl-6-(methylamino)-1,4-thiazepan-5-one
CID 22984964
(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene
CID 102449509
3-(methylamino)-1-propan-2-ylazepan-2-one
CID 22984869
1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
CID 158543329
1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one
CID 22984652

Frequently Asked Questions

What is the IUPAC name of 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one (CID 22984643) is 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one is CNC1CCCCN(C2CC=CCCC2)C1=O.
What is the InChIKey of 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one?
The InChIKey is ZFCYFHSEGKFDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12/h2,4,12-13,15H,3,5-11H2,1H3.
What are the key properties of 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one?
1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).