N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide

C9H15N3O — CID 141303686

IUPACN-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN1C=NCC1
InChIInChI=1S/C9H15N3O/c1-8(2)9(13)11-4-6-12-5-3-10-7-12/h7H,1,3-6H2,2H3,(H,11,13)
InChIKeyFBYCKPRVIKHHGS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.02
Rot. Bonds4

About N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide

N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 141303686) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide
PubChem CID141303686
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN1C=NCC1
InChIInChI=1S/C9H15N3O/c1-8(2)9(13)11-4-6-12-5-3-10-7-12/h7H,1,3-6H2,2H3,(H,11,13)
InChIKeyFBYCKPRVIKHHGS-UHFFFAOYSA-N
XLogP0.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-enamide
CID 70181244
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]prop-2-enamide
CID 70625882
Methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
CID 143456508
1-(4,5-Dihydroimidazol-1-yl)-2-methylprop-2-en-1-one
CID 154272452
4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide
CID 161035467
N-[2-(diaminomethylideneamino)ethyl]-2-methylprop-2-enamide
CID 166609717
N-(2-Guanidinoethyl)methacrylamide hydrochloride
CID 168447495
1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide
CID 175000829
N-[2-[[amino-(carbamoylamino)methylidene]amino]ethyl]-2-methylprop-2-enamide
CID 175194406
4,5-dihydro-1H-imidazole;2-methylidenebutanamide
CID 175355047
N-[2-[1-(dimethylamino)ethylideneamino]ethyl]-2-methylprop-2-enamide
CID 102226187
N-(2-(5-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)propionamide
CID 121121017

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide (CID 141303686) is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCN1C=NCC1.
What is the InChIKey of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is FBYCKPRVIKHHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(2)9(13)11-4-6-12-5-3-10-7-12/h7H,1,3-6H2,2H3,(H,11,13).
What are the key properties of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide?
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 181.24 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 141303686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).