acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium

C9H16NO+ — CID 90995797

IUPACacetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium
SMILESC#C.C[NH2+][C@]1(C(C)=O)CC1C
InChIInChI=1S/C7H13NO.C2H2/c1-5-4-7(5,8-3)6(2)9;1-2/h5,8H,4H2,1-3H3;1-2H/p+1/t5?,7-;/m1./s1
InChIKeyUPLQUCVILYTYGZ-YMGGJHBGSA-O
MW154.23 g/mol
LogP-0.20
Rot. Bonds2

About acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium

acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium (PubChem CID 90995797) has the molecular formula C9H16NO+ and a molecular weight of 154.23 g/mol. Its IUPAC name is acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium.

Molecular Properties

Compound Nameacetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium
PubChem CID90995797
Molecular FormulaC9H16NO+
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Nameacetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium
SMILESC#C.C[NH2+][C@]1(C(C)=O)CC1C
InChIInChI=1S/C7H13NO.C2H2/c1-5-4-7(5,8-3)6(2)9;1-2/h5,8H,4H2,1-3H3;1-2H/p+1/t5?,7-;/m1./s1
InChIKeyUPLQUCVILYTYGZ-YMGGJHBGSA-O
XLogP-0.20
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-Ethyl-1-(methylamino)cyclopropyl]ethanone
CID 20743607
(1-Acetyl-2,2-dimethylcyclopropyl)-methylazanium
CID 22082817
(1-Acetyl-2-methylcyclopropyl)-methylazanium
CID 22082819
4-Methyl-3-(methylamino)hexan-2-one
CID 22981508
2-Methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one
CID 59349302
(3R)-4-methyl-3-(methylamino)hexan-2-one
CID 59814434
(3S)-4-methyl-3-(methylamino)hexan-2-one
CID 59960248
[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium
CID 59963699
[(1S)-1-acetyl-2-methylcyclopropyl]-methylazanium
CID 59963711
1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one
CID 67889345
1-Cyclopropyl-1-(propan-2-ylamino)propan-2-one
CID 68064246
(4S)-4-methyl-3-(methylamino)hexan-2-one
CID 88556514

Frequently Asked Questions

What is the IUPAC name of acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium?
The IUPAC name of acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium (CID 90995797) is acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium.
What is the SMILES notation for acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium?
The canonical SMILES for acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium is C#C.C[NH2+][C@]1(C(C)=O)CC1C.
What is the InChIKey of acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium?
The InChIKey is UPLQUCVILYTYGZ-YMGGJHBGSA-O. The full InChI is InChI=1S/C7H13NO.C2H2/c1-5-4-7(5,8-3)6(2)9;1-2/h5,8H,4H2,1-3H3;1-2H/p+1/t5?,7-;/m1./s1.
What are the key properties of acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium?
acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium has a molecular weight of 154.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;[(1R)-1-acetyl-2-methylcyclopropyl]-methylazanium is sourced from PubChem (CID 90995797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).