2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol

C8H11NO — CID 121366943

IUPAC2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol
SMILESC=C(N)C1=C(O)C=CCC1
InChIInChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h3,5,10H,1-2,4,9H2
InChIKeyDGIDATALINAUGK-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.62
Rot. Bonds1

About 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol

2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol (PubChem CID 121366943) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol
PubChem CID121366943
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol
SMILESC=C(N)C1=C(O)C=CCC1
InChIInChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h3,5,10H,1-2,4,9H2
InChIKeyDGIDATALINAUGK-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Amino-2-methylcyclohexa-1,5-dien-1-ol
CID 23212600
2-Amino-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
CID 68144324
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
1-Amino-7-methyl-6,7-dihydronaphthalen-2-ol
CID 89263459
5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol
CID 129289813
6-Amino-4-methylidenecyclohexa-1,5-dien-1-ol
CID 130217232
(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol
CID 134404751
4-amino-8H-benzo[7]annulen-1-ol
CID 142801321
1-Amino-6,7-dihydronaphthalen-2-ol
CID 142830159
(2E,4Z)-3-amino-5-methylocta-2,4,7-trien-4-ol;ethane
CID 144037301
(4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol
CID 144914787

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol (CID 121366943) is 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol is C=C(N)C1=C(O)C=CCC1.
What is the InChIKey of 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is DGIDATALINAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h3,5,10H,1-2,4,9H2.
What are the key properties of 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol?
2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethenyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 121366943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).