[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium

C9H19N2O+ — CID 7047454

IUPAC[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium
SMILESCC[C@@H]([NH3+])[C@H]1CCCCNC1=O
InChIInChI=1S/C9H18N2O/c1-2-8(10)7-5-3-4-6-11-9(7)12/h7-8H,2-6,10H2,1H3,(H,11,12)/p+1/t7-,8-/m1/s1
InChIKeyCNVMPJJEJBSDPB-HTQZYQBOSA-O
MW171.26 g/mol
LogP-0.08
Rot. Bonds2

About [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium

[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium (PubChem CID 7047454) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium.

Molecular Properties

Compound Name[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium
PubChem CID7047454
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC Name[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium
SMILESCC[C@@H]([NH3+])[C@H]1CCCCNC1=O
InChIInChI=1S/C9H18N2O/c1-2-8(10)7-5-3-4-6-11-9(7)12/h7-8H,2-6,10H2,1H3,(H,11,12)/p+1/t7-,8-/m1/s1
InChIKeyCNVMPJJEJBSDPB-HTQZYQBOSA-O
XLogP-0.08
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium 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

(3R)-3-[(1R)-1-aminopropyl]azepan-2-one
CID 7047455
3-(1-aminoethyl)azepan-2-one
CID 2837704
3-(1-aminoethyl)azocan-2-one
CID 23959350
ethane;3-methylazepan-2-one;propane
CID 142177771
3-pentan-2-ylpiperidin-2-one
CID 107889853
3-but-3-en-2-ylazepan-2-one
CID 104679572
(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one
CID 68800299
3-(2-ethylbutylamino)azepan-2-one
CID 43688006
3-methylazepan-2-one
CID 581216
3-(1-amino-3-methylbutan-2-yl)piperidin-2-one
CID 83876452
3-methyl-azacycloundecan-2-one
CID 118421477
3-methylazonan-2-one
CID 59032742

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium?
The IUPAC name of [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium (CID 7047454) is [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium.
What is the SMILES notation for [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium?
The canonical SMILES for [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium is CC[C@@H]([NH3+])[C@H]1CCCCNC1=O.
What is the InChIKey of [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium?
The InChIKey is CNVMPJJEJBSDPB-HTQZYQBOSA-O. The full InChI is InChI=1S/C9H18N2O/c1-2-8(10)7-5-3-4-6-11-9(7)12/h7-8H,2-6,10H2,1H3,(H,11,12)/p+1/t7-,8-/m1/s1.
What are the key properties of [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium?
[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium has a molecular weight of 171.26 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium is sourced from PubChem (CID 7047454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).