(S)-amino(cyclohex-3-en-1-yl)methanol

C7H13NO — CID 89321957

IUPAC(S)-amino(cyclohex-3-en-1-yl)methanol
SMILESN[C@@H](O)C1CC=CCC1
InChIInChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h1-2,6-7,9H,3-5,8H2/t6?,7-/m0/s1
InChIKeyDKGYEXYPCREMBL-MLWJPKLSSA-N
MW127.19 g/mol
LogP0.62
Rot. Bonds1

About (S)-amino(cyclohex-3-en-1-yl)methanol

(S)-amino(cyclohex-3-en-1-yl)methanol (PubChem CID 89321957) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (S)-amino(cyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(S)-amino(cyclohex-3-en-1-yl)methanol
PubChem CID89321957
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(S)-amino(cyclohex-3-en-1-yl)methanol
SMILESN[C@@H](O)C1CC=CCC1
InChIInChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h1-2,6-7,9H,3-5,8H2/t6?,7-/m0/s1
InChIKeyDKGYEXYPCREMBL-MLWJPKLSSA-N
XLogP0.62
TPSA46.25 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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-amino(cyclohex-3-en-1-yl)methanol?
The IUPAC name of (S)-amino(cyclohex-3-en-1-yl)methanol (CID 89321957) is (S)-amino(cyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (S)-amino(cyclohex-3-en-1-yl)methanol?
The canonical SMILES for (S)-amino(cyclohex-3-en-1-yl)methanol is N[C@@H](O)C1CC=CCC1.
What is the InChIKey of (S)-amino(cyclohex-3-en-1-yl)methanol?
The InChIKey is DKGYEXYPCREMBL-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h1-2,6-7,9H,3-5,8H2/t6?,7-/m0/s1.
What are the key properties of (S)-amino(cyclohex-3-en-1-yl)methanol?
(S)-amino(cyclohex-3-en-1-yl)methanol has a molecular weight of 127.19 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-amino(cyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 89321957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).