2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide

C11H15N3O — CID 13036586

IUPAC2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1ccnc1
InChIInChI=1S/C11H15N3O/c1-3-6-14(7-4-2)11(15)9-13-8-5-12-10-13/h3-5,8,10H,1-2,6-7,9H2
InChIKeyHTIUVVYUWNVFAN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.08
Rot. Bonds6

About 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide

2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 13036586) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide
PubChem CID13036586
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1ccnc1
InChIInChI=1S/C11H15N3O/c1-3-6-14(7-4-2)11(15)9-13-8-5-12-10-13/h3-5,8,10H,1-2,6-7,9H2
InChIKeyHTIUVVYUWNVFAN-UHFFFAOYSA-N
XLogP1.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide (CID 13036586) is 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is HTIUVVYUWNVFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-6-14(7-4-2)11(15)9-13-8-5-12-10-13/h3-5,8,10H,1-2,6-7,9H2.
What are the key properties of 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide?
2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 13036586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).