5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one

C9H15NO — CID 18320349

IUPAC5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC1(C)C=CC(=O)CC1CN
InChIInChI=1S/C9H15NO/c1-9(2)4-3-8(11)5-7(9)6-10/h3-4,7H,5-6,10H2,1-2H3
InChIKeyILBQWUMBSDGHIG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.12
Rot. Bonds1

About 5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one

5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320349) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320349
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC1(C)C=CC(=O)CC1CN
InChIInChI=1S/C9H15NO/c1-9(2)4-3-8(11)5-7(9)6-10/h3-4,7H,5-6,10H2,1-2H3
InChIKeyILBQWUMBSDGHIG-UHFFFAOYSA-N
XLogP1.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one (CID 18320349) is 5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one is CC1(C)C=CC(=O)CC1CN.
What is the InChIKey of 5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is ILBQWUMBSDGHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2)4-3-8(11)5-7(9)6-10/h3-4,7H,5-6,10H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
5-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.12, 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-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).