N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide

C8H12N4O — CID 79278766

IUPACN-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H12N4O/c1-2-3-9-6-7(13)12-8-10-4-5-11-8/h2,4-5,9H,1,3,6H2,(H2,10,11,12,13)
InChIKeyAXNPTCHVDKWXKB-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds5

About N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide

N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79278766) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79278766
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H12N4O/c1-2-3-9-6-7(13)12-8-10-4-5-11-8/h2,4-5,9H,1,3,6H2,(H2,10,11,12,13)
InChIKeyAXNPTCHVDKWXKB-UHFFFAOYSA-N
XLogP0.12
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide (CID 79278766) is N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is AXNPTCHVDKWXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-3-9-6-7(13)12-8-10-4-5-11-8/h2,4-5,9H,1,3,6H2,(H2,10,11,12,13).
What are the key properties of N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide?
N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).