2-aminocyclohexa-1,3-dien-1-ol

C6H9NO — CID 142171538

IUPAC2-aminocyclohexa-1,3-dien-1-ol
SMILESNC1=C(O)CCC=C1
InChIInChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h1,3,8H,2,4,7H2
InChIKeyIGCCNUNDAJVHPQ-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.06
Rot. Bonds

About 2-aminocyclohexa-1,3-dien-1-ol

2-aminocyclohexa-1,3-dien-1-ol (PubChem CID 142171538) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-aminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-aminocyclohexa-1,3-dien-1-ol
PubChem CID142171538
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-aminocyclohexa-1,3-dien-1-ol
SMILESNC1=C(O)CCC=C1
InChIInChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h1,3,8H,2,4,7H2
InChIKeyIGCCNUNDAJVHPQ-UHFFFAOYSA-N
XLogP1.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminocresol
CID 171420
2-Amino-4-fluorocyclohexa-1,3-dien-1-ol
CID 88978454
4-Amino-6-fluorocyclohexa-1,3-dien-1-ol
CID 118297290
4-Amino-2-fluorocyclohexa-1,3-dien-1-ol
CID 144262840
4-Amino-3-fluorocyclohexa-1,3-dien-1-ol
CID 145611807
5-Amino-5-fluorocyclohexa-1,3-dien-1-ol
CID 153886409
6-Aminocyclohexa-1,3-dien-1-ol
CID 20028871
4-Aminocyclohexa-1,3-dien-1-ol
CID 20556824
5-Amino-5-methylcyclohexa-1,3-dien-1-ol
CID 22035440
3-Aminocyclohexa-1,3-dien-1-ol
CID 22164043
5-Aminocyclohexa-1,3-dien-1-ol
CID 23328709
2-Amino-3-methylcyclohexa-1,3-dien-1-ol
CID 58436629

Frequently Asked Questions

What is the IUPAC name of 2-aminocyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-aminocyclohexa-1,3-dien-1-ol (CID 142171538) is 2-aminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-aminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-aminocyclohexa-1,3-dien-1-ol is NC1=C(O)CCC=C1.
What is the InChIKey of 2-aminocyclohexa-1,3-dien-1-ol?
The InChIKey is IGCCNUNDAJVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-3-1-2-4-6(5)8/h1,3,8H,2,4,7H2.
What are the key properties of 2-aminocyclohexa-1,3-dien-1-ol?
2-aminocyclohexa-1,3-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 142171538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).