5-amino-2-methylcyclohexa-1,5-dien-1-ol

C7H11NO — CID 23212600

IUPAC5-amino-2-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(O)C=C(N)CC1
InChIInChI=1S/C7H11NO/c1-5-2-3-6(8)4-7(5)9/h4,9H,2-3,8H2,1H3
InChIKeyKWHLHKSBYVXNLT-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.45
Rot. Bonds

About 5-amino-2-methylcyclohexa-1,5-dien-1-ol

5-amino-2-methylcyclohexa-1,5-dien-1-ol (PubChem CID 23212600) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-amino-2-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-amino-2-methylcyclohexa-1,5-dien-1-ol
PubChem CID23212600
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-amino-2-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(O)C=C(N)CC1
InChIInChI=1S/C7H11NO/c1-5-2-3-6(8)4-7(5)9/h4,9H,2-3,8H2,1H3
InChIKeyKWHLHKSBYVXNLT-UHFFFAOYSA-N
XLogP1.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58597155
2-Amino-4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
CID 68144324
5-Aminocyclohexa-1,5-dien-1-ol
CID 68302232
2-(1-Aminoethenyl)cyclohexa-1,5-dien-1-ol
CID 121366943
2-Aminocyclohexa-1,5-dien-1-ol
CID 130196657
6-Amino-4-methylidenecyclohexa-1,5-dien-1-ol
CID 130217232
(2Z,5Z)-5-amino-3-but-2-en-2-ylocta-2,5-dien-2-ol
CID 132195264
(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol
CID 134404751
2,5-Diaminocyclohexa-1,5-dien-1-ol
CID 141795067

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-amino-2-methylcyclohexa-1,5-dien-1-ol (CID 23212600) is 5-amino-2-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-amino-2-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-amino-2-methylcyclohexa-1,5-dien-1-ol is CC1=C(O)C=C(N)CC1.
What is the InChIKey of 5-amino-2-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is KWHLHKSBYVXNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-2-3-6(8)4-7(5)9/h4,9H,2-3,8H2,1H3.
What are the key properties of 5-amino-2-methylcyclohexa-1,5-dien-1-ol?
5-amino-2-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 23212600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).