(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

C14H23N3O2 — CID 139599274

IUPAC(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESCOCCn1cncc1CN1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C14H23N3O2/c1-19-3-2-17-10-15-6-13(17)9-16-7-11-4-14(18)5-12(11)8-16/h6,10-12,14,18H,2-5,7-9H2,1H3/t11-,12+,14?
InChIKeyPKYSKFIVZDGZFV-ONXXMXGDSA-N
MW265.36 g/mol
LogP0.73
Rot. Bonds5

About (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 139599274) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID139599274
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESCOCCn1cncc1CN1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C14H23N3O2/c1-19-3-2-17-10-15-6-13(17)9-16-7-11-4-14(18)5-12(11)8-16/h6,10-12,14,18H,2-5,7-9H2,1H3/t11-,12+,14?
InChIKeyPKYSKFIVZDGZFV-ONXXMXGDSA-N
XLogP0.73
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol with MolForge

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Related Compounds

1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole
CID 91832467
(3R,4S)-4-[4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,4-diazepan-1-yl]oxolan-3-ol
CID 91832209
5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)imidazole
CID 155261577
N-[(3S,5R)-5-hydroxy-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]-5-pyridin-3-ylpentanamide
CID 166621207
5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 91840373
5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 124753499
1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
CID 66154969
1-[(3-methylimidazol-4-yl)methyl]azetidin-3-ol
CID 66141587
[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
CID 95550441
3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine
CID 91829440
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 139599274) is (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is COCCn1cncc1CN1C[C@H]2CC(O)C[C@H]2C1.
What is the InChIKey of (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is PKYSKFIVZDGZFV-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-19-3-2-17-10-15-6-13(17)9-16-7-11-4-14(18)5-12(11)8-16/h6,10-12,14,18H,2-5,7-9H2,1H3/t11-,12+,14?.
What are the key properties of (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 265.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 139599274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).