(5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol

C7H12ClNO — CID 89212773

IUPAC(5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol
SMILESC[C@@H]1CCC=C(O)[C@H]1NCl
InChIInChI=1S/C7H12ClNO/c1-5-3-2-4-6(10)7(5)9-8/h4-5,7,9-10H,2-3H2,1H3/t5-,7+/m1/s1
InChIKeyNNANFAHIBQGJQQ-VDTYLAMSSA-N
MW161.63 g/mol
LogP1.97
Rot. Bonds1

About (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol

(5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol (PubChem CID 89212773) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol.

Molecular Properties

Compound Name(5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol
PubChem CID89212773
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name(5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol
SMILESC[C@@H]1CCC=C(O)[C@H]1NCl
InChIInChI=1S/C7H12ClNO/c1-5-3-2-4-6(10)7(5)9-8/h4-5,7,9-10H,2-3H2,1H3/t5-,7+/m1/s1
InChIKeyNNANFAHIBQGJQQ-VDTYLAMSSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol?
The IUPAC name of (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol (CID 89212773) is (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol.
What is the SMILES notation for (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol?
The canonical SMILES for (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol is C[C@@H]1CCC=C(O)[C@H]1NCl.
What is the InChIKey of (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol?
The InChIKey is NNANFAHIBQGJQQ-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-5-3-2-4-6(10)7(5)9-8/h4-5,7,9-10H,2-3H2,1H3/t5-,7+/m1/s1.
What are the key properties of (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol?
(5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol has a molecular weight of 161.63 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol is sourced from PubChem (CID 89212773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).