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

C9H13N3O2 — CID 5200330

IUPACethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
SMILESCCOC(=O)c1c(N)nc2n1CCC2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)7-8(10)11-6-4-3-5-12(6)7/h2-5,10H2,1H3
InChIKeyAIRDKVZFOXEKFK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.59
Rot. Bonds2

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

ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate (PubChem CID 5200330) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
PubChem CID5200330
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
SMILESCCOC(=O)c1c(N)nc2n1CCC2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)7-8(10)11-6-4-3-5-12(6)7/h2-5,10H2,1H3
InChIKeyAIRDKVZFOXEKFK-UHFFFAOYSA-N
XLogP0.59
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
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-[(aminocarbonyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
CID 5303299
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
5-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester
CID 12298751
ethyl 5-amino-1-(2,2,2-trifluoroethyl)-1H-imidazole-4-carboxylate
CID 53418332
ethyl 4-amino-1-cyclopropyl-1H-imidazole-5-carboxylate
CID 57953828
Ethyl 5-amino-1-dodecylimidazole-4-carboxylate
CID 163209850
1H-Imidazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester
CID 535900
ethyl 4-amino-1,2-dimethyl-1H-imidazole-5-carboxylate
CID 12239849
ethyl 5-amino-1,2-dimethyl-1H-imidazole-4-carboxylate
CID 61800706

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The IUPAC name of ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate (CID 5200330) is ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is CCOC(=O)c1c(N)nc2n1CCC2.
What is the InChIKey of ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
The InChIKey is AIRDKVZFOXEKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)7-8(10)11-6-4-3-5-12(6)7/h2-5,10H2,1H3.
What are the key properties of ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate?
ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is sourced from PubChem (CID 5200330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).