(1-acetyl-2-methylcyclopropyl)-methylazanium

C7H14NO+ — CID 22082819

IUPAC(1-acetyl-2-methylcyclopropyl)-methylazanium
SMILESC[NH2+]C1(C(C)=O)CC1C
InChIInChI=1S/C7H13NO/c1-5-4-7(5,8-3)6(2)9/h5,8H,4H2,1-3H3/p+1
InChIKeyKDJPBFQVSXDKAO-UHFFFAOYSA-O
MW128.19 g/mol
LogP-0.45
Rot. Bonds2

About (1-acetyl-2-methylcyclopropyl)-methylazanium

(1-acetyl-2-methylcyclopropyl)-methylazanium (PubChem CID 22082819) has the molecular formula C7H14NO+ and a molecular weight of 128.19 g/mol. Its IUPAC name is (1-acetyl-2-methylcyclopropyl)-methylazanium.

Molecular Properties

Compound Name(1-acetyl-2-methylcyclopropyl)-methylazanium
PubChem CID22082819
Molecular FormulaC7H14NO+
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name(1-acetyl-2-methylcyclopropyl)-methylazanium
SMILESC[NH2+]C1(C(C)=O)CC1C
InChIInChI=1S/C7H13NO/c1-5-4-7(5,8-3)6(2)9/h5,8H,4H2,1-3H3/p+1
InChIKeyKDJPBFQVSXDKAO-UHFFFAOYSA-O
XLogP-0.45
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2-methylcyclopropyl)-methylazanium?
The IUPAC name of (1-acetyl-2-methylcyclopropyl)-methylazanium (CID 22082819) is (1-acetyl-2-methylcyclopropyl)-methylazanium.
What is the SMILES notation for (1-acetyl-2-methylcyclopropyl)-methylazanium?
The canonical SMILES for (1-acetyl-2-methylcyclopropyl)-methylazanium is C[NH2+]C1(C(C)=O)CC1C.
What is the InChIKey of (1-acetyl-2-methylcyclopropyl)-methylazanium?
The InChIKey is KDJPBFQVSXDKAO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO/c1-5-4-7(5,8-3)6(2)9/h5,8H,4H2,1-3H3/p+1.
What are the key properties of (1-acetyl-2-methylcyclopropyl)-methylazanium?
(1-acetyl-2-methylcyclopropyl)-methylazanium has a molecular weight of 128.19 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2-methylcyclopropyl)-methylazanium is sourced from PubChem (CID 22082819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).