(1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol

C10H17NO2 — CID 71525173

IUPAC(1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol
SMILESC=C(CN)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H17NO2/c1-6-3-4-8(7(2)5-11)10(13)9(6)12/h3,8-10,12-13H,2,4-5,11H2,1H3/t8-,9+,10+/m0/s1
InChIKeyKRCIKGNDRNIJJW-IVZWLZJFSA-N
MW183.25 g/mol
LogP0.19
Rot. Bonds2

About (1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol

(1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol (PubChem CID 71525173) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol
PubChem CID71525173
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol
SMILESC=C(CN)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H17NO2/c1-6-3-4-8(7(2)5-11)10(13)9(6)12/h3,8-10,12-13H,2,4-5,11H2,1H3/t8-,9+,10+/m0/s1
InChIKeyKRCIKGNDRNIJJW-IVZWLZJFSA-N
XLogP0.19
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
The IUPAC name of (1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol (CID 71525173) is (1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for (1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
The canonical SMILES for (1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol is C=C(CN)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
The InChIKey is KRCIKGNDRNIJJW-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-3-4-8(7(2)5-11)10(13)9(6)12/h3,8-10,12-13H,2,4-5,11H2,1H3/t8-,9+,10+/m0/s1.
What are the key properties of (1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
(1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol has a molecular weight of 183.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-6-(3-aminoprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 71525173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).