2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol

C8H11NO — CID 163744445

IUPAC2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1C(O)=C(N)C=CC1C
InChIInChI=1S/C8H11NO/c1-5-3-4-7(9)8(10)6(5)2/h3-5,10H,2,9H2,1H3
InChIKeyLKPPHJSFWZMWKB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.48
Rot. Bonds

About 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol

2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol (PubChem CID 163744445) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol
PubChem CID163744445
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1C(O)=C(N)C=CC1C
InChIInChI=1S/C8H11NO/c1-5-3-4-7(9)8(10)6(5)2/h3-5,10H,2,9H2,1H3
InChIKeyLKPPHJSFWZMWKB-UHFFFAOYSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol (CID 163744445) is 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol is C=C1C(O)=C(N)C=CC1C.
What is the InChIKey of 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol?
The InChIKey is LKPPHJSFWZMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-3-4-7(9)8(10)6(5)2/h3-5,10H,2,9H2,1H3.
What are the key properties of 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol?
2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-6-methylidenecyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163744445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).