ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate

C10H14N4O3 — CID 5303299

IUPACethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
SMILESCCOC(=O)c1c(NC(N)=O)nc2n1CCC2
InChIInChI=1S/C10H14N4O3/c1-2-17-9(15)7-8(13-10(11)16)12-6-4-3-5-14(6)7/h2-5H2,1H3,(H3,11,13,16)
InChIKeyJODOECXGXMBMQC-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.50
Rot. Bonds3

About ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate

ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate (PubChem CID 5303299) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
PubChem CID5303299
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Nameethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
SMILESCCOC(=O)c1c(NC(N)=O)nc2n1CCC2
InChIInChI=1S/C10H14N4O3/c1-2-17-9(15)7-8(13-10(11)16)12-6-4-3-5-14(6)7/h2-5H2,1H3,(H3,11,13,16)
InChIKeyJODOECXGXMBMQC-UHFFFAOYSA-N
XLogP0.50
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-1-butyl-1H-imidazole-4-carboxylate
CID 7230647
ethyl 2-amino-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-carboxylate
CID 5200237
ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
CID 5200330
Ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate
CID 42647387
methyl 2-amino-5H,6H,7H-pyrrolo(1,2-a)imidazole-3-carboxylate
CID 7326914
ethyl 4-amino-1,2-dimethyl-1H-imidazole-5-carboxylate
CID 12239849
ethyl 5-amino-1,2-dimethyl-1H-imidazole-4-carboxylate
CID 61800706
methyl 2-amino-5H,6H,8H-imidazo[2,1-c][1,4]oxazine-3-carboxylate
CID 125060293
imidazole, 5-methoxycarbonyl-1-methyl-4-(N-methyl-N-methylaminocarbonyl)amino-
CID 171384550
Ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate
CID 12955183
ethyl 4-amino-2-ethyl-1-methyl-1H-imidazole-5-carboxylate
CID 57550175
ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
CID 927662

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The IUPAC name of ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate (CID 5303299) is ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate.
What is the SMILES notation for ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The canonical SMILES for ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is CCOC(=O)c1c(NC(N)=O)nc2n1CCC2.
What is the InChIKey of ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The InChIKey is JODOECXGXMBMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-2-17-9(15)7-8(13-10(11)16)12-6-4-3-5-14(6)7/h2-5H2,1H3,(H3,11,13,16).
What are the key properties of ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate has a molecular weight of 238.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is sourced from PubChem (CID 5303299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).