1-(1-aminocyclopropyl)pent-4-yn-2-one

C8H11NO — CID 130872557

IUPAC1-(1-aminocyclopropyl)pent-4-yn-2-one
SMILESC#CCC(=O)CC1(N)CC1
InChIInChI=1S/C8H11NO/c1-2-3-7(10)6-8(9)4-5-8/h1H,3-6,9H2
InChIKeyFANZTGQQWVWPDN-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.46
Rot. Bonds3

About 1-(1-aminocyclopropyl)pent-4-yn-2-one

1-(1-aminocyclopropyl)pent-4-yn-2-one (PubChem CID 130872557) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)pent-4-yn-2-one.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)pent-4-yn-2-one
PubChem CID130872557
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(1-aminocyclopropyl)pent-4-yn-2-one
SMILESC#CCC(=O)CC1(N)CC1
InChIInChI=1S/C8H11NO/c1-2-3-7(10)6-8(9)4-5-8/h1H,3-6,9H2
InChIKeyFANZTGQQWVWPDN-UHFFFAOYSA-N
XLogP0.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-aminocyclopropyl)-4-methylpentan-2-one
CID 131228317
1-(1-aminocyclopropyl)pent-4-en-2-one
CID 130796920
1-(1-aminocyclopentyl)but-3-yn-1-one
CID 116558666
nona-1,8-diyne-4,6-dione
CID 88862196
1-(1-aminocyclopentyl)pent-4-en-2-one
CID 116578589
4-oxohept-6-ynamide
CID 158101819
1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
CID 116578936
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-(1-aminocyclobutyl)-1-cyclopentylethanone
CID 116591112
2-(1-aminocyclohexyl)-1-cyclopropylethanone
CID 116579120
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119
2-(1-aminocyclobutyl)-1-cycloheptylethanone
CID 116591382

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)pent-4-yn-2-one?
The IUPAC name of 1-(1-aminocyclopropyl)pent-4-yn-2-one (CID 130872557) is 1-(1-aminocyclopropyl)pent-4-yn-2-one.
What is the SMILES notation for 1-(1-aminocyclopropyl)pent-4-yn-2-one?
The canonical SMILES for 1-(1-aminocyclopropyl)pent-4-yn-2-one is C#CCC(=O)CC1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)pent-4-yn-2-one?
The InChIKey is FANZTGQQWVWPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-7(10)6-8(9)4-5-8/h1H,3-6,9H2.
What are the key properties of 1-(1-aminocyclopropyl)pent-4-yn-2-one?
1-(1-aminocyclopropyl)pent-4-yn-2-one has a molecular weight of 137.18 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)pent-4-yn-2-one is sourced from PubChem (CID 130872557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).