4-(ethylamino)cyclohexa-1,3-dien-1-ol

C8H13NO — CID 155441693

IUPAC4-(ethylamino)cyclohexa-1,3-dien-1-ol
SMILESCCNC1=CC=C(O)CC1
InChIInChI=1S/C8H13NO/c1-2-9-7-3-5-8(10)6-4-7/h3,5,9-10H,2,4,6H2,1H3
InChIKeyPQFGQJKARSBMOU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.72
Rot. Bonds2

About 4-(ethylamino)cyclohexa-1,3-dien-1-ol

4-(ethylamino)cyclohexa-1,3-dien-1-ol (PubChem CID 155441693) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-(ethylamino)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(ethylamino)cyclohexa-1,3-dien-1-ol
PubChem CID155441693
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-(ethylamino)cyclohexa-1,3-dien-1-ol
SMILESCCNC1=CC=C(O)CC1
InChIInChI=1S/C8H13NO/c1-2-9-7-3-5-8(10)6-4-7/h3,5,9-10H,2,4,6H2,1H3
InChIKeyPQFGQJKARSBMOU-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(ethylamino)cyclohexa-1,3-dien-1-ol (CID 155441693) is 4-(ethylamino)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(ethylamino)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(ethylamino)cyclohexa-1,3-dien-1-ol is CCNC1=CC=C(O)CC1.
What is the InChIKey of 4-(ethylamino)cyclohexa-1,3-dien-1-ol?
The InChIKey is PQFGQJKARSBMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-9-7-3-5-8(10)6-4-7/h3,5,9-10H,2,4,6H2,1H3.
What are the key properties of 4-(ethylamino)cyclohexa-1,3-dien-1-ol?
4-(ethylamino)cyclohexa-1,3-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 155441693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).