N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide

C12H17N3O — CID 19902300

IUPACN-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
SMILESCC(=O)N(C)C(C)C#CCn1ccnc1C
InChIInChI=1S/C12H17N3O/c1-10(14(4)12(3)16)6-5-8-15-9-7-13-11(15)2/h7,9-10H,8H2,1-4H3
InChIKeyFTIBMTUWMAQTHG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.06
Rot. Bonds2

About N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide

N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide (PubChem CID 19902300) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
PubChem CID19902300
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
SMILESCC(=O)N(C)C(C)C#CCn1ccnc1C
InChIInChI=1S/C12H17N3O/c1-10(14(4)12(3)16)6-5-8-15-9-7-13-11(15)2/h7,9-10H,8H2,1-4H3
InChIKeyFTIBMTUWMAQTHG-UHFFFAOYSA-N
XLogP1.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.06
H-Bond Donors ≤ 50
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 N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide?
The IUPAC name of N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide (CID 19902300) is N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide is CC(=O)N(C)C(C)C#CCn1ccnc1C.
What is the InChIKey of N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide?
The InChIKey is FTIBMTUWMAQTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(14(4)12(3)16)6-5-8-15-9-7-13-11(15)2/h7,9-10H,8H2,1-4H3.
What are the key properties of N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide?
N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide has a molecular weight of 219.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide is sourced from PubChem (CID 19902300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).