1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone

C8H13NO — CID 59946345

IUPAC1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@@H]1CC=CC[C@H]1N
InChIInChI=1S/C8H13NO/c1-6(10)7-4-2-3-5-8(7)9/h2-3,7-8H,4-5,9H2,1H3/t7-,8+/m0/s1
InChIKeyIMNHCOMSLKJEGP-JGVFFNPUSA-N
MW139.20 g/mol
LogP0.87
Rot. Bonds1

About 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone

1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone (PubChem CID 59946345) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone
PubChem CID59946345
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@@H]1CC=CC[C@H]1N
InChIInChI=1S/C8H13NO/c1-6(10)7-4-2-3-5-8(7)9/h2-3,7-8H,4-5,9H2,1H3/t7-,8+/m0/s1
InChIKeyIMNHCOMSLKJEGP-JGVFFNPUSA-N
XLogP0.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.87
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 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone (CID 59946345) is 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone is CC(=O)[C@@H]1CC=CC[C@H]1N.
What is the InChIKey of 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone?
The InChIKey is IMNHCOMSLKJEGP-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(10)7-4-2-3-5-8(7)9/h2-3,7-8H,4-5,9H2,1H3/t7-,8+/m0/s1.
What are the key properties of 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone?
1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone has a molecular weight of 139.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 59946345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).