(3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride

C10H20ClNO — CID 155906315

IUPAC(3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride
SMILESCC1(C)CNC[C@H]2CCO[C@H]2C1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-10(2)5-9-8(3-4-12-9)6-11-7-10;/h8-9,11H,3-7H2,1-2H3;1H/t8-,9+;/m1./s1
InChIKeyOLCPYIIBUOBMPK-RJUBDTSPSA-N
MW205.73 g/mol
LogP1.83
Rot. Bonds

About (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride

(3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride (PubChem CID 155906315) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride.

Molecular Properties

Compound Name(3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride
PubChem CID155906315
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name(3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride
SMILESCC1(C)CNC[C@H]2CCO[C@H]2C1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-10(2)5-9-8(3-4-12-9)6-11-7-10;/h8-9,11H,3-7H2,1-2H3;1H/t8-,9+;/m1./s1
InChIKeyOLCPYIIBUOBMPK-RJUBDTSPSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane
CID 144812856
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
CID 66582615
2-cyclopropyloxetane
CID 102488279
(2R)-2,6,6-trimethyl-1,4-oxazepane
CID 177088964
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-f][1,4]oxazepine
CID 92720088
(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[f][1,4]oxazepine
CID 10241032
3-(oxolan-2-yl)pyrrolidine
CID 79493405
(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 21122216
2,3,3a,4,5,7,8,8a-octahydrofuro[2,3-d]oxepine
CID 118209812
2-(oxan-4-yl)morpholine;hydrochloride
CID 139026622
2-(4-methylcyclohexyl)oxetane
CID 59188362
2,2-dimethyl-4-(oxan-4-yl)piperidine
CID 117258197

Frequently Asked Questions

What is the IUPAC name of (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride?
The IUPAC name of (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride (CID 155906315) is (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride.
What is the SMILES notation for (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride?
The canonical SMILES for (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride is CC1(C)CNC[C@H]2CCO[C@H]2C1.Cl.
What is the InChIKey of (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride?
The InChIKey is OLCPYIIBUOBMPK-RJUBDTSPSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-10(2)5-9-8(3-4-12-9)6-11-7-10;/h8-9,11H,3-7H2,1-2H3;1H/t8-,9+;/m1./s1.
What are the key properties of (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride?
(3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride is sourced from PubChem (CID 155906315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).