(1R,4S)-4-aminocyclohex-2-en-1-ol

C6H11NO — CID 12651623

IUPAC(1R,4S)-4-aminocyclohex-2-en-1-ol
SMILESN[C@@H]1C=C[C@H](O)CC1
InChIInChI=1S/C6H11NO/c7-5-1-3-6(8)4-2-5/h1,3,5-6,8H,2,4,7H2/t5-,6+/m1/s1
InChIKeyFLVISPMJRQXJRG-RITPCOANSA-N
MW113.16 g/mol
LogP0.02
Rot. Bonds

About (1R,4S)-4-aminocyclohex-2-en-1-ol

(1R,4S)-4-aminocyclohex-2-en-1-ol (PubChem CID 12651623) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1R,4S)-4-aminocyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-aminocyclohex-2-en-1-ol
PubChem CID12651623
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1R,4S)-4-aminocyclohex-2-en-1-ol
SMILESN[C@@H]1C=C[C@H](O)CC1
InChIInChI=1S/C6H11NO/c7-5-1-3-6(8)4-2-5/h1,3,5-6,8H,2,4,7H2/t5-,6+/m1/s1
InChIKeyFLVISPMJRQXJRG-RITPCOANSA-N
XLogP0.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.02
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,4S)-4-aminocyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-4-aminocyclohex-2-en-1-ol (CID 12651623) is (1R,4S)-4-aminocyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-aminocyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-aminocyclohex-2-en-1-ol is N[C@@H]1C=C[C@H](O)CC1.
What is the InChIKey of (1R,4S)-4-aminocyclohex-2-en-1-ol?
The InChIKey is FLVISPMJRQXJRG-RITPCOANSA-N. The full InChI is InChI=1S/C6H11NO/c7-5-1-3-6(8)4-2-5/h1,3,5-6,8H,2,4,7H2/t5-,6+/m1/s1.
What are the key properties of (1R,4S)-4-aminocyclohex-2-en-1-ol?
(1R,4S)-4-aminocyclohex-2-en-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-aminocyclohex-2-en-1-ol is sourced from PubChem (CID 12651623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).