1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one

C14H24N2O — CID 22984660

IUPAC1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(C2C=CCCC2)CCCC1C
InChIInChI=1S/C14H24N2O/c1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12/h4,8,11-13,15H,3,5-7,9-10H2,1-2H3
InChIKeyNOAHJNBSKWMSLV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one

1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984660) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one
PubChem CID22984660
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(C2C=CCCC2)CCCC1C
InChIInChI=1S/C14H24N2O/c1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12/h4,8,11-13,15H,3,5-7,9-10H2,1-2H3
InChIKeyNOAHJNBSKWMSLV-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one (CID 22984660) is 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one is CNC1C(=O)N(C2C=CCCC2)CCCC1C.
What is the InChIKey of 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one?
The InChIKey is NOAHJNBSKWMSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12/h4,8,11-13,15H,3,5-7,9-10H2,1-2H3.
What are the key properties of 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one?
1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).