prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate

C10H16N4O2 — CID 57095527

IUPACprop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate
SMILESC=CCOC(=O)NCc1cn(CNC)cn1
InChIInChI=1S/C10H16N4O2/c1-3-4-16-10(15)12-5-9-6-14(7-11-2)8-13-9/h3,6,8,11H,1,4-5,7H2,2H3,(H,12,15)
InChIKeyRQDKBEIOYOUSEG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.47
Rot. Bonds6

About prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate

prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate (PubChem CID 57095527) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate
PubChem CID57095527
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameprop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate
SMILESC=CCOC(=O)NCc1cn(CNC)cn1
InChIInChI=1S/C10H16N4O2/c1-3-4-16-10(15)12-5-9-6-14(7-11-2)8-13-9/h3,6,8,11H,1,4-5,7H2,2H3,(H,12,15)
InChIKeyRQDKBEIOYOUSEG-UHFFFAOYSA-N
XLogP0.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-(5-methylimidazol-1-yl)but-2-ynyl]carbamate
CID 15065562
methyl N-((1-methyl-1H-imidazol-4-yl)methyl)carbamate
CID 165859620
tert-butyl N-[2,2-difluoro-3-[(3-methylimidazol-4-yl)methylamino]propyl]carbamate
CID 104953994
tert-butyl N-[3-[(3-ethylimidazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257352
tert-butyl N-[2,2-difluoro-3-[(3-propylimidazol-4-yl)methylamino]propyl]carbamate
CID 107257500
tert-butyl N-[2,2-difluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propyl]carbamate
CID 107257539
tert-butyl N-[3-[(3-cyclopropylimidazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257563
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
tert-butyl N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]carbamate
CID 114705881
tert-butyl N-[[3-(2,2-difluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114706879
tert-butyl N-[[3-(4,4,4-trifluorobutyl)imidazol-4-yl]methyl]carbamate
CID 114707001
ethyl 4-{[(1-isobutyl-1H-imidazol-5-yl)methyl]amino}piperidine-1-carboxylate
CID 50970995

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate?
The IUPAC name of prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate (CID 57095527) is prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate?
The canonical SMILES for prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate is C=CCOC(=O)NCc1cn(CNC)cn1.
What is the InChIKey of prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate?
The InChIKey is RQDKBEIOYOUSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-4-16-10(15)12-5-9-6-14(7-11-2)8-13-9/h3,6,8,11H,1,4-5,7H2,2H3,(H,12,15).
What are the key properties of prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate?
prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate has a molecular weight of 224.26 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[[1-(methylaminomethyl)imidazol-4-yl]methyl]carbamate is sourced from PubChem (CID 57095527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).