[(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C16H23N3O2 — CID 97368276

IUPAC[(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)Cc2ncn(C)c21
InChIInChI=1S/C16H23N3O2/c1-18-11-17-14-9-19(8-13(10-21-2)15(14)18)16(20)12-6-4-3-5-7-12/h3-4,11-13H,5-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyPGHWEOWLYBDVAY-OLZOCXBDSA-N
MW289.38 g/mol
LogP1.85
Rot. Bonds3

About [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

[(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 97368276) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID97368276
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)Cc2ncn(C)c21
InChIInChI=1S/C16H23N3O2/c1-18-11-17-14-9-19(8-13(10-21-2)15(14)18)16(20)12-6-4-3-5-7-12/h3-4,11-13H,5-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyPGHWEOWLYBDVAY-OLZOCXBDSA-N
XLogP1.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 97368276) is [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is COC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)Cc2ncn(C)c21.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is PGHWEOWLYBDVAY-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-11-17-14-9-19(8-13(10-21-2)15(14)18)16(20)12-6-4-3-5-7-12/h3-4,11-13H,5-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
[(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 97368276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).