6-amino-4-methylidenecyclohexa-1,5-dien-1-ol

C7H9NO — CID 130217232

IUPAC6-amino-4-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=C1C=C(N)C(O)=CC1
InChIInChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h3-4,9H,1-2,8H2
InChIKeyUQXUFJAOXRBOMQ-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.23
Rot. Bonds

About 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol

6-amino-4-methylidenecyclohexa-1,5-dien-1-ol (PubChem CID 130217232) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-amino-4-methylidenecyclohexa-1,5-dien-1-ol
PubChem CID130217232
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name6-amino-4-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=C1C=C(N)C(O)=CC1
InChIInChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h3-4,9H,1-2,8H2
InChIKeyUQXUFJAOXRBOMQ-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Amino-4-fluorocyclohexa-1,5-dien-1-ol
CID 164109483
6-Aminocyclohexa-1,5-dien-1-ol
CID 23116172
5-Amino-2-methylcyclohexa-1,5-dien-1-ol
CID 23212600
2-Amino-4-methylbenzene-5-id-1-ol;yttrium
CID 57832769
4-Amino-2-methylbenzene-6-id-1-ol;yttrium
CID 57888499
2-Amino-4-methylbenzene-6-id-1-ol;yttrium
CID 58597155
2-Amino-3,4-dimethylbenzene-6-id-1-ol;yttrium
CID 60070095
5-Aminocyclohexa-1,5-dien-1-ol
CID 68302232
3-Amino-6-methylidenecyclohexa-1,3-dien-1-ol
CID 70526466
(2-Amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone
CID 87094552
(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

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol (CID 130217232) is 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol is C=C1C=C(N)C(O)=CC1.
What is the InChIKey of 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is UQXUFJAOXRBOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h3-4,9H,1-2,8H2.
What are the key properties of 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol?
6-amino-4-methylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 123.15 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 130217232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).