1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one

C14H22N2O — CID 89268216

IUPAC1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1C1C=CCCC1
InChIInChI=1S/C14H22N2O/c1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12/h4,8,12-13,15H,1,3,5-7,9-10H2,2H3
InChIKeyMCMZYNBCHFYVAX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.21
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one

1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one (PubChem CID 89268216) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one
PubChem CID89268216
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1C1C=CCCC1
InChIInChI=1S/C14H22N2O/c1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12/h4,8,12-13,15H,1,3,5-7,9-10H2,2H3
InChIKeyMCMZYNBCHFYVAX-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.21
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-3-(methylamino)-7-methylideneazepan-2-one?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one (CID 89268216) is 1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one is C=C1CCCC(NC)C(=O)N1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one?
The InChIKey is MCMZYNBCHFYVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12/h4,8,12-13,15H,1,3,5-7,9-10H2,2H3.
What are the key properties of 1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one?
1-cyclohex-2-en-1-yl-3-(methylamino)-7-methylideneazepan-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.21, 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-3-(methylamino)-7-methylideneazepan-2-one is sourced from PubChem (CID 89268216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).