3-amino-5-methylcyclohex-2-en-1-one

C7H11NO — CID 3016877

IUPAC3-amino-5-methylcyclohex-2-en-1-one
SMILESCC1CC(=O)C=C(N)C1
InChIInChI=1S/C7H11NO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3,8H2,1H3
InChIKeyOUTDGRREBULAEH-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.83
Rot. Bonds

About 3-amino-5-methylcyclohex-2-en-1-one

3-amino-5-methylcyclohex-2-en-1-one (PubChem CID 3016877) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-amino-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-amino-5-methylcyclohex-2-en-1-one
PubChem CID3016877
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-amino-5-methylcyclohex-2-en-1-one
SMILESCC1CC(=O)C=C(N)C1
InChIInChI=1S/C7H11NO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3,8H2,1H3
InChIKeyOUTDGRREBULAEH-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylcyclohex-2-en-1-one?
The IUPAC name of 3-amino-5-methylcyclohex-2-en-1-one (CID 3016877) is 3-amino-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-amino-5-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-amino-5-methylcyclohex-2-en-1-one is CC1CC(=O)C=C(N)C1.
What is the InChIKey of 3-amino-5-methylcyclohex-2-en-1-one?
The InChIKey is OUTDGRREBULAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-2-6(8)4-7(9)3-5/h4-5H,2-3,8H2,1H3.
What are the key properties of 3-amino-5-methylcyclohex-2-en-1-one?
3-amino-5-methylcyclohex-2-en-1-one has a molecular weight of 125.17 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 3016877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).