methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate

C8H13N3O2 — CID 86340649

IUPACmethyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@H]1CC2=C(CN1)NCN2
InChIInChI=1S/C8H13N3O2/c1-13-8(12)6-2-5-7(3-9-6)11-4-10-5/h6,9-11H,2-4H2,1H3/t6-/m1/s1
InChIKeyKETXTQTWVDCOKJ-ZCFIWIBFSA-N
MW183.21 g/mol
LogP-1.12
Rot. Bonds1

About methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate

methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 86340649) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID86340649
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@H]1CC2=C(CN1)NCN2
InChIInChI=1S/C8H13N3O2/c1-13-8(12)6-2-5-7(3-9-6)11-4-10-5/h6,9-11H,2-4H2,1H3/t6-/m1/s1
InChIKeyKETXTQTWVDCOKJ-ZCFIWIBFSA-N
XLogP-1.12
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl (5R)-2,3,4,5,6,7-hexahydro-1H-benzimidazole-5-carboxylate
CID 86341029
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl (3R)-7-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 67096009
methyl (2S)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 45082153
methyl 4-methylidenepiperidine-2-carboxylate
CID 45082152
methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate
CID 105464797
methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 99908919
methyl (3R)-6-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684475
methyl (3S)-7-hydroxy-8-iodo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684443
methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride
CID 166640271
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 574666
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate (CID 86340649) is methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)[C@H]1CC2=C(CN1)NCN2.
What is the InChIKey of methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is KETXTQTWVDCOKJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-8(12)6-2-5-7(3-9-6)11-4-10-5/h6,9-11H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 183.21 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 86340649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).