1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol

C9H18N2O — CID 541962

IUPAC1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol
SMILESOC1NCCCN2CCCCC12
InChIInChI=1S/C9H18N2O/c12-9-8-4-1-2-6-11(8)7-3-5-10-9/h8-10,12H,1-7H2
InChIKeyHXEMZRGNONHODY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.15
Rot. Bonds

About 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol

1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol (PubChem CID 541962) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol.

Molecular Properties

Compound Name1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol
PubChem CID541962
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol
SMILESOC1NCCCN2CCCCC12
InChIInChI=1S/C9H18N2O/c12-9-8-4-1-2-6-11(8)7-3-5-10-9/h8-10,12H,1-7H2
InChIKeyHXEMZRGNONHODY-UHFFFAOYSA-N
XLogP0.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol?
The IUPAC name of 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol (CID 541962) is 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol.
What is the SMILES notation for 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol?
The canonical SMILES for 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol is OC1NCCCN2CCCCC12.
What is the InChIKey of 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol?
The InChIKey is HXEMZRGNONHODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c12-9-8-4-1-2-6-11(8)7-3-5-10-9/h8-10,12H,1-7H2.
What are the key properties of 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol?
1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol has a molecular weight of 170.26 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-a][1,4]diazepin-1-ol is sourced from PubChem (CID 541962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).