4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

C7H11NO2 — CID 89018036

IUPAC4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESNC1=CCC(O)C(CO)=C1
InChIInChI=1S/C7H11NO2/c8-6-1-2-7(10)5(3-6)4-9/h1,3,7,9-10H,2,4,8H2
InChIKeyDBHBXKYTSNUVJP-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.49
Rot. Bonds1

About 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 89018036) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
PubChem CID89018036
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESNC1=CCC(O)C(CO)=C1
InChIInChI=1S/C7H11NO2/c8-6-1-2-7(10)5(3-6)4-9/h1,3,7,9-10H,2,4,8H2
InChIKeyDBHBXKYTSNUVJP-UHFFFAOYSA-N
XLogP-0.49
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (CID 89018036) is 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is NC1=CCC(O)C(CO)=C1.
What is the InChIKey of 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is DBHBXKYTSNUVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-6-1-2-7(10)5(3-6)4-9/h1,3,7,9-10H,2,4,8H2.
What are the key properties of 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 141.17 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 89018036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).