(1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol

C8H13NO — CID 175494135

IUPAC(1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol
SMILESCC[C@]1(O)C=CC=CC1N
InChIInChI=1S/C8H13NO/c1-2-8(10)6-4-3-5-7(8)9/h3-7,10H,2,9H2,1H3/t7?,8-/m0/s1
InChIKeyMLCXECNFBXCFBK-MQWKRIRWSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds1

About (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol

(1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol (PubChem CID 175494135) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol
PubChem CID175494135
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol
SMILESCC[C@]1(O)C=CC=CC1N
InChIInChI=1S/C8H13NO/c1-2-8(10)6-4-3-5-7(8)9/h3-7,10H,2,9H2,1H3/t7?,8-/m0/s1
InChIKeyMLCXECNFBXCFBK-MQWKRIRWSA-N
XLogP0.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol (CID 175494135) is (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol is CC[C@]1(O)C=CC=CC1N.
What is the InChIKey of (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol?
The InChIKey is MLCXECNFBXCFBK-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-8(10)6-4-3-5-7(8)9/h3-7,10H,2,9H2,1H3/t7?,8-/m0/s1.
What are the key properties of (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol?
(1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-amino-1-ethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175494135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).