(1R,2R)-2-(methylamino)cyclohex-3-en-1-ol

C7H13NO — CID 55288308

IUPAC(1R,2R)-2-(methylamino)cyclohex-3-en-1-ol
SMILESCN[C@@H]1C=CCC[C@H]1O
InChIInChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(6)9/h2,4,6-9H,3,5H2,1H3/t6-,7-/m1/s1
InChIKeyFDLHYPJSAZUAHV-RNFRBKRXSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol

(1R,2R)-2-(methylamino)cyclohex-3-en-1-ol (PubChem CID 55288308) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(methylamino)cyclohex-3-en-1-ol
PubChem CID55288308
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1R,2R)-2-(methylamino)cyclohex-3-en-1-ol
SMILESCN[C@@H]1C=CCC[C@H]1O
InChIInChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(6)9/h2,4,6-9H,3,5H2,1H3/t6-,7-/m1/s1
InChIKeyFDLHYPJSAZUAHV-RNFRBKRXSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
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 (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol?
The IUPAC name of (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol (CID 55288308) is (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol.
What is the SMILES notation for (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol?
The canonical SMILES for (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol is CN[C@@H]1C=CCC[C@H]1O.
What is the InChIKey of (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol?
The InChIKey is FDLHYPJSAZUAHV-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(6)9/h2,4,6-9H,3,5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol?
(1R,2R)-2-(methylamino)cyclohex-3-en-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(methylamino)cyclohex-3-en-1-ol is sourced from PubChem (CID 55288308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).