5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one

C10H15NO — CID 18320280

IUPAC5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
SMILESC=C1C(=O)C=CC(C)(C)C1CN
InChIInChI=1S/C10H15NO/c1-7-8(6-11)10(2,3)5-4-9(7)12/h4-5,8H,1,6,11H2,2-3H3
InChIKeyXROJDXMYDKMONM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.28
Rot. Bonds1

About 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one

5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one (PubChem CID 18320280) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
PubChem CID18320280
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
SMILESC=C1C(=O)C=CC(C)(C)C1CN
InChIInChI=1S/C10H15NO/c1-7-8(6-11)10(2,3)5-4-9(7)12/h4-5,8H,1,6,11H2,2-3H3
InChIKeyXROJDXMYDKMONM-UHFFFAOYSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
The IUPAC name of 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one (CID 18320280) is 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one.
What is the SMILES notation for 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
The canonical SMILES for 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one is C=C1C(=O)C=CC(C)(C)C1CN.
What is the InChIKey of 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
The InChIKey is XROJDXMYDKMONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-8(6-11)10(2,3)5-4-9(7)12/h4-5,8H,1,6,11H2,2-3H3.
What are the key properties of 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one is sourced from PubChem (CID 18320280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).