cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide

C15H22N2O4 — CID 160689249

IUPACcyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CC.C#CCNC(C)=O.O=C(O)C1CC1
InChIInChI=1S/C6H9NO.C5H7NO.C4H6O2/c1-3-5-7-6(8)4-2;1-3-4-6-5(2)7;5-4(6)3-1-2-3/h1H,4-5H2,2H3,(H,7,8);1H,4H2,2H3,(H,6,7);3H,1-2H2,(H,5,6)
InChIKeyRPEOZKPCJYGBNY-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.38
Rot. Bonds4

About cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide

cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide (PubChem CID 160689249) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide.

Molecular Properties

Compound Namecyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide
PubChem CID160689249
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namecyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CC.C#CCNC(C)=O.O=C(O)C1CC1
InChIInChI=1S/C6H9NO.C5H7NO.C4H6O2/c1-3-5-7-6(8)4-2;1-3-4-6-5(2)7;5-4(6)3-1-2-3/h1H,4-5H2,2H3,(H,7,8);1H,4H2,2H3,(H,6,7);3H,1-2H2,(H,5,6)
InChIKeyRPEOZKPCJYGBNY-UHFFFAOYSA-N
XLogP0.38
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide?
The IUPAC name of cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide (CID 160689249) is cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide.
What is the SMILES notation for cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide?
The canonical SMILES for cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide is C#CCNC(=O)CC.C#CCNC(C)=O.O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide?
The InChIKey is RPEOZKPCJYGBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H7NO.C4H6O2/c1-3-5-7-6(8)4-2;1-3-4-6-5(2)7;5-4(6)3-1-2-3/h1H,4-5H2,2H3,(H,7,8);1H,4H2,2H3,(H,6,7);3H,1-2H2,(H,5,6).
What are the key properties of cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide?
cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide has a molecular weight of 294.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid;N-prop-2-ynylacetamide;N-prop-2-ynylpropanamide is sourced from PubChem (CID 160689249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).