5-aminocyclohepta-1,3,5-trien-1-ol

C7H9NO — CID 142889473

IUPAC5-aminocyclohepta-1,3,5-trien-1-ol
SMILESNC1=CCC(O)=CC=C1
InChIInChI=1S/C7H9NO/c8-6-2-1-3-7(9)5-4-6/h1-4,9H,5,8H2
InChIKeyXMJRIRDXQDYWGN-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.23
Rot. Bonds

About 5-aminocyclohepta-1,3,5-trien-1-ol

5-aminocyclohepta-1,3,5-trien-1-ol (PubChem CID 142889473) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-aminocyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name5-aminocyclohepta-1,3,5-trien-1-ol
PubChem CID142889473
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-aminocyclohepta-1,3,5-trien-1-ol
SMILESNC1=CCC(O)=CC=C1
InChIInChI=1S/C7H9NO/c8-6-2-1-3-7(9)5-4-6/h1-4,9H,5,8H2
InChIKeyXMJRIRDXQDYWGN-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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Related Compounds

3-Aminocyclohexa-1,3-dien-1-ol
CID 22164043
(1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol
CID 126762505
(3E)-5-aminohexa-3,5-dien-3-ol
CID 132207868
(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol
CID 137384297
5-Aminocyclohepta-1,4,6-trien-1-ol
CID 138741221
(3E,5E)-6-aminohepta-3,5-dien-3-ol
CID 141772049
(3E,5E)-6-aminoocta-3,5-dien-3-ol;ethane;ethene
CID 141772051
2-Aminocyclopenta-1,3-dien-1-ol
CID 141782366
2-Amino-4-methylcyclohepta-1,3,5-trien-1-ol
CID 142028947
2-Aminocyclohexa-1,3-dien-1-ol
CID 142171538
(2Z,4Z)-3-aminohepta-2,4-dien-2-ol
CID 142171572
6-Aminocyclohepta-1,4,6-trien-1-ol
CID 142195841

Frequently Asked Questions

What is the IUPAC name of 5-aminocyclohepta-1,3,5-trien-1-ol?
The IUPAC name of 5-aminocyclohepta-1,3,5-trien-1-ol (CID 142889473) is 5-aminocyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for 5-aminocyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for 5-aminocyclohepta-1,3,5-trien-1-ol is NC1=CCC(O)=CC=C1.
What is the InChIKey of 5-aminocyclohepta-1,3,5-trien-1-ol?
The InChIKey is XMJRIRDXQDYWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-6-2-1-3-7(9)5-4-6/h1-4,9H,5,8H2.
What are the key properties of 5-aminocyclohepta-1,3,5-trien-1-ol?
5-aminocyclohepta-1,3,5-trien-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 5-aminocyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 142889473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).