7-amino-2-ethylcyclohepta-1,6-dien-1-ol

C9H15NO — CID 143076637

IUPAC7-amino-2-ethylcyclohepta-1,6-dien-1-ol
SMILESCCC1=C(O)C(N)=CCCC1
InChIInChI=1S/C9H15NO/c1-2-7-5-3-4-6-8(10)9(7)11/h6,11H,2-5,10H2,1H3
InChIKeyGHARPOKENNMODC-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.23
Rot. Bonds1

About 7-amino-2-ethylcyclohepta-1,6-dien-1-ol

7-amino-2-ethylcyclohepta-1,6-dien-1-ol (PubChem CID 143076637) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 7-amino-2-ethylcyclohepta-1,6-dien-1-ol.

Molecular Properties

Compound Name7-amino-2-ethylcyclohepta-1,6-dien-1-ol
PubChem CID143076637
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name7-amino-2-ethylcyclohepta-1,6-dien-1-ol
SMILESCCC1=C(O)C(N)=CCCC1
InChIInChI=1S/C9H15NO/c1-2-7-5-3-4-6-8(10)9(7)11/h6,11H,2-5,10H2,1H3
InChIKeyGHARPOKENNMODC-UHFFFAOYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-ethylcyclohepta-1,6-dien-1-ol?
The IUPAC name of 7-amino-2-ethylcyclohepta-1,6-dien-1-ol (CID 143076637) is 7-amino-2-ethylcyclohepta-1,6-dien-1-ol.
What is the SMILES notation for 7-amino-2-ethylcyclohepta-1,6-dien-1-ol?
The canonical SMILES for 7-amino-2-ethylcyclohepta-1,6-dien-1-ol is CCC1=C(O)C(N)=CCCC1.
What is the InChIKey of 7-amino-2-ethylcyclohepta-1,6-dien-1-ol?
The InChIKey is GHARPOKENNMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-7-5-3-4-6-8(10)9(7)11/h6,11H,2-5,10H2,1H3.
What are the key properties of 7-amino-2-ethylcyclohepta-1,6-dien-1-ol?
7-amino-2-ethylcyclohepta-1,6-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-ethylcyclohepta-1,6-dien-1-ol is sourced from PubChem (CID 143076637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).