acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne

C18H32FN3O3 — CID 144884050

IUPACacetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne
SMILESC#C.C#CC.CC.CCCC(=O)NF.O=CNCC(=O)N1CCCC1
InChIInChI=1S/C7H12N2O2.C4H8FNO.C3H4.C2H6.C2H2/c10-6-8-5-7(11)9-3-1-2-4-9;1-2-3-4(7)6-5;1-3-2;2*1-2/h6H,1-5H2,(H,8,10);2-3H2,1H3,(H,6,7);1H,2H3;1-2H3;1-2H
InChIKeyJMPWPLCUYCBTFJ-UHFFFAOYSA-N
MW357.47 g/mol
LogP2.06
Rot. Bonds5

About acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne

acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne (PubChem CID 144884050) has the molecular formula C18H32FN3O3 and a molecular weight of 357.47 g/mol. Its IUPAC name is acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne.

Molecular Properties

Compound Nameacetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne
PubChem CID144884050
Molecular FormulaC18H32FN3O3
Molecular Weight357.47 g/mol
Exact Mass357.24
IUPAC Nameacetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne
SMILESC#C.C#CC.CC.CCCC(=O)NF.O=CNCC(=O)N1CCCC1
InChIInChI=1S/C7H12N2O2.C4H8FNO.C3H4.C2H6.C2H2/c10-6-8-5-7(11)9-3-1-2-4-9;1-2-3-4(7)6-5;1-3-2;2*1-2/h6H,1-5H2,(H,8,10);2-3H2,1H3,(H,6,7);1H,2H3;1-2H3;1-2H
InChIKeyJMPWPLCUYCBTFJ-UHFFFAOYSA-N
XLogP2.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne?
The IUPAC name of acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne (CID 144884050) is acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne.
What is the SMILES notation for acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne?
The canonical SMILES for acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne is C#C.C#CC.CC.CCCC(=O)NF.O=CNCC(=O)N1CCCC1.
What is the InChIKey of acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne?
The InChIKey is JMPWPLCUYCBTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.C4H8FNO.C3H4.C2H6.C2H2/c10-6-8-5-7(11)9-3-1-2-4-9;1-2-3-4(7)6-5;1-3-2;2*1-2/h6H,1-5H2,(H,8,10);2-3H2,1H3,(H,6,7);1H,2H3;1-2H3;1-2H.
What are the key properties of acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne?
acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne has a molecular weight of 357.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;N-fluorobutanamide;N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide;prop-1-yne is sourced from PubChem (CID 144884050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).