3-amino-4-chlorocyclohexa-1,3-dien-1-ol

C6H8ClNO — CID 173254778

IUPAC3-amino-4-chlorocyclohexa-1,3-dien-1-ol
SMILESNC1=C(Cl)CCC(O)=C1
InChIInChI=1S/C6H8ClNO/c7-5-2-1-4(9)3-6(5)8/h3,9H,1-2,8H2
InChIKeyZBWYHTUQRFKICV-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.63
Rot. Bonds

About 3-amino-4-chlorocyclohexa-1,3-dien-1-ol

3-amino-4-chlorocyclohexa-1,3-dien-1-ol (PubChem CID 173254778) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 3-amino-4-chlorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-amino-4-chlorocyclohexa-1,3-dien-1-ol
PubChem CID173254778
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name3-amino-4-chlorocyclohexa-1,3-dien-1-ol
SMILESNC1=C(Cl)CCC(O)=C1
InChIInChI=1S/C6H8ClNO/c7-5-2-1-4(9)3-6(5)8/h3,9H,1-2,8H2
InChIKeyZBWYHTUQRFKICV-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chlorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-amino-4-chlorocyclohexa-1,3-dien-1-ol (CID 173254778) is 3-amino-4-chlorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-amino-4-chlorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-amino-4-chlorocyclohexa-1,3-dien-1-ol is NC1=C(Cl)CCC(O)=C1.
What is the InChIKey of 3-amino-4-chlorocyclohexa-1,3-dien-1-ol?
The InChIKey is ZBWYHTUQRFKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c7-5-2-1-4(9)3-6(5)8/h3,9H,1-2,8H2.
What are the key properties of 3-amino-4-chlorocyclohexa-1,3-dien-1-ol?
3-amino-4-chlorocyclohexa-1,3-dien-1-ol has a molecular weight of 145.59 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chlorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 173254778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).