(5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane

C9H17NO — CID 177361127

IUPAC(5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane
SMILESCC.C[C@H]1CC(=O)C=C(N)C1
InChIInChI=1S/C7H11NO.C2H6/c1-5-2-6(8)4-7(9)3-5;1-2/h4-5H,2-3,8H2,1H3;1-2H3/t5-;/m1./s1
InChIKeyFQYIJYLRBRGRMO-NUBCRITNSA-N
MW155.24 g/mol
LogP1.85
Rot. Bonds

About (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane

(5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane (PubChem CID 177361127) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane.

Molecular Properties

Compound Name(5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane
PubChem CID177361127
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane
SMILESCC.C[C@H]1CC(=O)C=C(N)C1
InChIInChI=1S/C7H11NO.C2H6/c1-5-2-6(8)4-7(9)3-5;1-2/h4-5H,2-3,8H2,1H3;1-2H3/t5-;/m1./s1
InChIKeyFQYIJYLRBRGRMO-NUBCRITNSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-(methylamino)cyclohex-2-en-1-one
CID 55287802
3,5-dimethylcyclohex-2-en-1-one;ethane;pentane
CID 144844935
3-amino-5-(trifluoromethyl)cyclohex-2-en-1-one
CID 91926248
(5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one
CID 30033692
(5R)-3-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-5-methylcyclohex-2-en-1-one
CID 30033480
3-(methoxymethoxy)-5-methylcyclohex-2-en-1-one
CID 45116924
(4S)-3,4-dimethylcyclopent-2-en-1-one
CID 86310528
(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one
CID 30033441
(5S)-3-amino-5-(2-chlorophenyl)cyclohex-2-en-1-one
CID 11287482
[(5R)-5-methyl-3-oxocyclohexen-1-yl] trifluoromethanesulfonate
CID 129395982
(5S)-5-methylcyclohexen-1-amine
CID 163541060
4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide
CID 134386510

Frequently Asked Questions

What is the IUPAC name of (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane?
The IUPAC name of (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane (CID 177361127) is (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane.
What is the SMILES notation for (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane?
The canonical SMILES for (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane is CC.C[C@H]1CC(=O)C=C(N)C1.
What is the InChIKey of (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane?
The InChIKey is FQYIJYLRBRGRMO-NUBCRITNSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-5-2-6(8)4-7(9)3-5;1-2/h4-5H,2-3,8H2,1H3;1-2H3/t5-;/m1./s1.
What are the key properties of (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane?
(5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane has a molecular weight of 155.24 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-amino-5-methylcyclohex-2-en-1-one;ethane is sourced from PubChem (CID 177361127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).