2-[(2R)-7-oxoazepan-2-yl]ethylazanium

C8H17N2O+ — CID 6936883

IUPAC2-[(2R)-7-oxoazepan-2-yl]ethylazanium
SMILES[NH3+]CC[C@H]1CCCCC(=O)N1
InChIInChI=1S/C8H16N2O/c9-6-5-7-3-1-2-4-8(11)10-7/h7H,1-6,9H2,(H,10,11)/p+1/t7-/m1/s1
InChIKeyRUQXXUQEDUYQJZ-SSDOTTSWSA-O
MW157.24 g/mol
LogP-0.32
Rot. Bonds2

About 2-[(2R)-7-oxoazepan-2-yl]ethylazanium

2-[(2R)-7-oxoazepan-2-yl]ethylazanium (PubChem CID 6936883) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-[(2R)-7-oxoazepan-2-yl]ethylazanium.

Molecular Properties

Compound Name2-[(2R)-7-oxoazepan-2-yl]ethylazanium
PubChem CID6936883
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Name2-[(2R)-7-oxoazepan-2-yl]ethylazanium
SMILES[NH3+]CC[C@H]1CCCCC(=O)N1
InChIInChI=1S/C8H16N2O/c9-6-5-7-3-1-2-4-8(11)10-7/h7H,1-6,9H2,(H,10,11)/p+1/t7-/m1/s1
InChIKeyRUQXXUQEDUYQJZ-SSDOTTSWSA-O
XLogP-0.32
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-7-oxoazepan-2-yl]ethylazanium?
The IUPAC name of 2-[(2R)-7-oxoazepan-2-yl]ethylazanium (CID 6936883) is 2-[(2R)-7-oxoazepan-2-yl]ethylazanium.
What is the SMILES notation for 2-[(2R)-7-oxoazepan-2-yl]ethylazanium?
The canonical SMILES for 2-[(2R)-7-oxoazepan-2-yl]ethylazanium is [NH3+]CC[C@H]1CCCCC(=O)N1.
What is the InChIKey of 2-[(2R)-7-oxoazepan-2-yl]ethylazanium?
The InChIKey is RUQXXUQEDUYQJZ-SSDOTTSWSA-O. The full InChI is InChI=1S/C8H16N2O/c9-6-5-7-3-1-2-4-8(11)10-7/h7H,1-6,9H2,(H,10,11)/p+1/t7-/m1/s1.
What are the key properties of 2-[(2R)-7-oxoazepan-2-yl]ethylazanium?
2-[(2R)-7-oxoazepan-2-yl]ethylazanium has a molecular weight of 157.24 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-7-oxoazepan-2-yl]ethylazanium is sourced from PubChem (CID 6936883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).