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

C10H15NO — CID 18320175

IUPAC2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C=C(CN)C1=O
InChIInChI=1S/C10H15NO/c1-7-4-10(2,3)5-8(6-11)9(7)12/h5H,1,4,6,11H2,2-3H3
InChIKeyGYIRAKWXUDJUCX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.43
Rot. Bonds1

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

2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one (PubChem CID 18320175) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
PubChem CID18320175
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C=C(CN)C1=O
InChIInChI=1S/C10H15NO/c1-7-4-10(2,3)5-8(6-11)9(7)12/h5H,1,4,6,11H2,2-3H3
InChIKeyGYIRAKWXUDJUCX-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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 2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one (CID 18320175) is 2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one is C=C1CC(C)(C)C=C(CN)C1=O.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
The InChIKey is GYIRAKWXUDJUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-4-10(2,3)5-8(6-11)9(7)12/h5H,1,4,6,11H2,2-3H3.
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one?
2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one is sourced from PubChem (CID 18320175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).