2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane

C10H19NO — CID 162015445

IUPAC2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane
SMILESC.CNC1CC(=O)C(C)=C(C)C1
InChIInChI=1S/C9H15NO.CH4/c1-6-4-8(10-3)5-9(11)7(6)2;/h8,10H,4-5H2,1-3H3;1H4
InChIKeyYUAWCZHHBVPTFV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.91
Rot. Bonds1

About 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane

2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane (PubChem CID 162015445) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane.

Molecular Properties

Compound Name2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane
PubChem CID162015445
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane
SMILESC.CNC1CC(=O)C(C)=C(C)C1
InChIInChI=1S/C9H15NO.CH4/c1-6-4-8(10-3)5-9(11)7(6)2;/h8,10H,4-5H2,1-3H3;1H4
InChIKeyYUAWCZHHBVPTFV-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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bis(2,3-dimethylcyclopent-2-en-1-one);methane
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5-ethyl-2,3-dimethylcyclopent-2-en-1-one
CID 45140128
3-(methylamino)cyclopentan-1-one
CID 91562222
5-hydroxy-2,3-dimethylcyclopent-2-en-1-one
CID 534047
4-(methylamino)oxolan-2-one
CID 22270042
3,4-dimethyl-1-[4-(methylamino)cyclohexyl]pyrrole-2,5-dione
CID 79110425
2,4,5-trimethyl-2,3-dihydropyran-6-one
CID 18538217
5-tert-butyl-2,3-dimethylcyclopent-2-en-1-one
CID 131997974
5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 23039099
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CID 174095161

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane?
The IUPAC name of 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane (CID 162015445) is 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane.
What is the SMILES notation for 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane?
The canonical SMILES for 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane is C.CNC1CC(=O)C(C)=C(C)C1.
What is the InChIKey of 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane?
The InChIKey is YUAWCZHHBVPTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.CH4/c1-6-4-8(10-3)5-9(11)7(6)2;/h8,10H,4-5H2,1-3H3;1H4.
What are the key properties of 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane?
2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane has a molecular weight of 169.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane is sourced from PubChem (CID 162015445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).