4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one

C11H17NO2 — CID 116589479

IUPAC4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one
SMILESC#CCNCC(=O)CCC1CCCO1
InChIInChI=1S/C11H17NO2/c1-2-7-12-9-10(13)5-6-11-4-3-8-14-11/h1,11-12H,3-9H2
InChIKeyZSOVBSXORPGEHD-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.74
Rot. Bonds6

About 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one

4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one (PubChem CID 116589479) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one
PubChem CID116589479
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one
SMILESC#CCNCC(=O)CCC1CCCO1
InChIInChI=1S/C11H17NO2/c1-2-7-12-9-10(13)5-6-11-4-3-8-14-11/h1,11-12H,3-9H2
InChIKeyZSOVBSXORPGEHD-UHFFFAOYSA-N
XLogP0.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-2-yl)hex-5-yn-3-one
CID 114962049
N-[2-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate
CID 79274543
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
CID 116561140
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
1-(oxan-2-yl)hept-5-yn-3-one
CID 114964990
4-cyclopropyl-1-(oxolan-2-yl)pentan-3-one
CID 114976906
1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
N-methyl-2-[2-(oxolan-2-yl)ethylamino]acetamide
CID 61039623
4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one
CID 114969240

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one?
The IUPAC name of 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one (CID 116589479) is 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one is C#CCNCC(=O)CCC1CCCO1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one?
The InChIKey is ZSOVBSXORPGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-7-12-9-10(13)5-6-11-4-3-8-14-11/h1,11-12H,3-9H2.
What are the key properties of 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one?
4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one has a molecular weight of 195.26 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one is sourced from PubChem (CID 116589479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).