acetylene;1-propan-2-ylpyrrolidin-2-one

C9H15NO — CID 178109061

IUPACacetylene;1-propan-2-ylpyrrolidin-2-one
SMILESC#C.CC(C)N1CCCC1=O
InChIInChI=1S/C7H13NO.C2H2/c1-6(2)8-5-3-4-7(8)9;1-2/h6H,3-5H2,1-2H3;1-2H
InChIKeyVMTMPJSBXTWCQX-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.27
Rot. Bonds1

About acetylene;1-propan-2-ylpyrrolidin-2-one

acetylene;1-propan-2-ylpyrrolidin-2-one (PubChem CID 178109061) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is acetylene;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Nameacetylene;1-propan-2-ylpyrrolidin-2-one
PubChem CID178109061
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Nameacetylene;1-propan-2-ylpyrrolidin-2-one
SMILESC#C.CC(C)N1CCCC1=O
InChIInChI=1S/C7H13NO.C2H2/c1-6(2)8-5-3-4-7(8)9;1-2/h6H,3-5H2,1-2H3;1-2H
InChIKeyVMTMPJSBXTWCQX-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of acetylene;1-propan-2-ylpyrrolidin-2-one (CID 178109061) is acetylene;1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for acetylene;1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for acetylene;1-propan-2-ylpyrrolidin-2-one is C#C.CC(C)N1CCCC1=O.
What is the InChIKey of acetylene;1-propan-2-ylpyrrolidin-2-one?
The InChIKey is VMTMPJSBXTWCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H2/c1-6(2)8-5-3-4-7(8)9;1-2/h6H,3-5H2,1-2H3;1-2H.
What are the key properties of acetylene;1-propan-2-ylpyrrolidin-2-one?
acetylene;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 178109061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).