(5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one

C10H15NO — CID 71304824

IUPAC(5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
SMILESC=C(CN)[C@@H]1CC=C(C)C(=O)C1
InChIInChI=1S/C10H15NO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,9H,2,4-6,11H2,1H3/t9-/m1/s1
InChIKeyAFJMPRZLUXLYHB-SECBINFHSA-N
MW165.24 g/mol
LogP1.43
Rot. Bonds2

About (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one

(5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one (PubChem CID 71304824) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
PubChem CID71304824
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
SMILESC=C(CN)[C@@H]1CC=C(C)C(=O)C1
InChIInChI=1S/C10H15NO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,9H,2,4-6,11H2,1H3/t9-/m1/s1
InChIKeyAFJMPRZLUXLYHB-SECBINFHSA-N
XLogP1.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one?
The IUPAC name of (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one (CID 71304824) is (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one is C=C(CN)[C@@H]1CC=C(C)C(=O)C1.
What is the InChIKey of (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one?
The InChIKey is AFJMPRZLUXLYHB-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,9H,2,4-6,11H2,1H3/t9-/m1/s1.
What are the key properties of (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one?
(5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-aminoprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 71304824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).