6-(aminomethyl)cyclohex-2-en-1-one

C7H11NO — CID 123422276

IUPAC6-(aminomethyl)cyclohex-2-en-1-one
SMILESNCC1CCC=CC1=O
InChIInChI=1S/C7H11NO/c8-5-6-3-1-2-4-7(6)9/h2,4,6H,1,3,5,8H2
InChIKeyYJOSCNIRETVDLF-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.48
Rot. Bonds1

About 6-(aminomethyl)cyclohex-2-en-1-one

6-(aminomethyl)cyclohex-2-en-1-one (PubChem CID 123422276) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-(aminomethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(aminomethyl)cyclohex-2-en-1-one
PubChem CID123422276
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-(aminomethyl)cyclohex-2-en-1-one
SMILESNCC1CCC=CC1=O
InChIInChI=1S/C7H11NO/c8-5-6-3-1-2-4-7(6)9/h2,4,6H,1,3,5,8H2
InChIKeyYJOSCNIRETVDLF-UHFFFAOYSA-N
XLogP0.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)cyclohex-2-en-1-one?
The IUPAC name of 6-(aminomethyl)cyclohex-2-en-1-one (CID 123422276) is 6-(aminomethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 6-(aminomethyl)cyclohex-2-en-1-one?
The canonical SMILES for 6-(aminomethyl)cyclohex-2-en-1-one is NCC1CCC=CC1=O.
What is the InChIKey of 6-(aminomethyl)cyclohex-2-en-1-one?
The InChIKey is YJOSCNIRETVDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-6-3-1-2-4-7(6)9/h2,4,6H,1,3,5,8H2.
What are the key properties of 6-(aminomethyl)cyclohex-2-en-1-one?
6-(aminomethyl)cyclohex-2-en-1-one has a molecular weight of 125.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 123422276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).