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

C9H15NO — CID 18320073

IUPAC3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CCC(=O)C=C1CN
InChIInChI=1S/C9H15NO/c1-9(2)4-3-8(11)5-7(9)6-10/h5H,3-4,6,10H2,1-2H3
InChIKeyMOZPWFFKZRDPMU-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.26
Rot. Bonds1

About 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one

3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320073) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320073
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CCC(=O)C=C1CN
InChIInChI=1S/C9H15NO/c1-9(2)4-3-8(11)5-7(9)6-10/h5H,3-4,6,10H2,1-2H3
InChIKeyMOZPWFFKZRDPMU-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one (CID 18320073) is 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one is CC1(C)CCC(=O)C=C1CN.
What is the InChIKey of 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is MOZPWFFKZRDPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2)4-3-8(11)5-7(9)6-10/h5H,3-4,6,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one?
3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).