3-amino-6-methylidenecyclohexa-1,3-dien-1-ol

C7H9NO — CID 70526466

IUPAC3-amino-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1CC=C(N)C=C1O
InChIInChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h3-4,9H,1-2,8H2
InChIKeyWSJKVYOHYJVKNP-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.23
Rot. Bonds

About 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol

3-amino-6-methylidenecyclohexa-1,3-dien-1-ol (PubChem CID 70526466) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-amino-6-methylidenecyclohexa-1,3-dien-1-ol
PubChem CID70526466
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-amino-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1CC=C(N)C=C1O
InChIInChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h3-4,9H,1-2,8H2
InChIKeyWSJKVYOHYJVKNP-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol (CID 70526466) is 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol is C=C1CC=C(N)C=C1O.
What is the InChIKey of 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol?
The InChIKey is WSJKVYOHYJVKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h3-4,9H,1-2,8H2.
What are the key properties of 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol?
3-amino-6-methylidenecyclohexa-1,3-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 3-amino-6-methylidenecyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70526466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).