[(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium

C7H14NO+ — CID 59963711

IUPAC[(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium
SMILESC[NH2+][C@@]1(C(C)=O)CC1C
InChIInChI=1S/C7H13NO/c1-5-4-7(5,8-3)6(2)9/h5,8H,4H2,1-3H3/p+1/t5?,7-/m0/s1
InChIKeyKDJPBFQVSXDKAO-MSZQBOFLSA-O
MW128.19 g/mol
LogP-0.45
Rot. Bonds2

About [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium

[(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium (PubChem CID 59963711) has the molecular formula C7H14NO+ and a molecular weight of 128.19 g/mol. Its IUPAC name is [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium.

Molecular Properties

Compound Name[(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium
PubChem CID59963711
Molecular FormulaC7H14NO+
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name[(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium
SMILESC[NH2+][C@@]1(C(C)=O)CC1C
InChIInChI=1S/C7H13NO/c1-5-4-7(5,8-3)6(2)9/h5,8H,4H2,1-3H3/p+1/t5?,7-/m0/s1
InChIKeyKDJPBFQVSXDKAO-MSZQBOFLSA-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 [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium?
The IUPAC name of [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium (CID 59963711) is [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium.
What is the SMILES notation for [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium?
The canonical SMILES for [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium is C[NH2+][C@@]1(C(C)=O)CC1C.
What is the InChIKey of [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium?
The InChIKey is KDJPBFQVSXDKAO-MSZQBOFLSA-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/t5?,7-/m0/s1.
What are the key properties of [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium?
[(1S)-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 [(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium is sourced from PubChem (CID 59963711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).