(1-acetyl-2,2-dimethylcyclopropyl)-methylazanium

C8H16NO+ — CID 22082817

IUPAC(1-acetyl-2,2-dimethylcyclopropyl)-methylazanium
SMILESC[NH2+]C1(C(C)=O)CC1(C)C
InChIInChI=1S/C8H15NO/c1-6(10)8(9-4)5-7(8,2)3/h9H,5H2,1-4H3/p+1
InChIKeyMSECLRMJBHXJLH-UHFFFAOYSA-O
MW142.22 g/mol
LogP-0.06
Rot. Bonds2

About (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium

(1-acetyl-2,2-dimethylcyclopropyl)-methylazanium (PubChem CID 22082817) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium.

Molecular Properties

Compound Name(1-acetyl-2,2-dimethylcyclopropyl)-methylazanium
PubChem CID22082817
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(1-acetyl-2,2-dimethylcyclopropyl)-methylazanium
SMILESC[NH2+]C1(C(C)=O)CC1(C)C
InChIInChI=1S/C8H15NO/c1-6(10)8(9-4)5-7(8,2)3/h9H,5H2,1-4H3/p+1
InChIKeyMSECLRMJBHXJLH-UHFFFAOYSA-O
XLogP-0.06
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium?
The IUPAC name of (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium (CID 22082817) is (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium.
What is the SMILES notation for (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium?
The canonical SMILES for (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium is C[NH2+]C1(C(C)=O)CC1(C)C.
What is the InChIKey of (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium?
The InChIKey is MSECLRMJBHXJLH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c1-6(10)8(9-4)5-7(8,2)3/h9H,5H2,1-4H3/p+1.
What are the key properties of (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium?
(1-acetyl-2,2-dimethylcyclopropyl)-methylazanium has a molecular weight of 142.22 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2,2-dimethylcyclopropyl)-methylazanium is sourced from PubChem (CID 22082817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).