(3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

C10H13N3 — CID 10397296

IUPAC(3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESC1=C(c2cnc[nH]2)C[C@@H]2CNC[C@H]12
InChIInChI=1S/C10H13N3/c1-7(10-5-12-6-13-10)2-9-4-11-3-8(1)9/h1,5-6,8-9,11H,2-4H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyHHWXPWIPHCTDHJ-DTWKUNHWSA-N
MW175.24 g/mol
LogP1.03
Rot. Bonds1

About (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

(3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 10397296) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID10397296
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name(3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESC1=C(c2cnc[nH]2)C[C@@H]2CNC[C@H]12
InChIInChI=1S/C10H13N3/c1-7(10-5-12-6-13-10)2-9-4-11-3-8(1)9/h1,5-6,8-9,11H,2-4H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyHHWXPWIPHCTDHJ-DTWKUNHWSA-N
XLogP1.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aS)-5-(6-bromo-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 87915037
3-(1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-2,4-diazabicyclo[4.2.0]octa-1,3,5-triene
CID 176868239
5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 89410005
(3aR,6aS)-5-(6-bromo-5-methyl-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 87915320
(3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 90224764
5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 77305376
2-[5-(1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-2-chloro-3-pyridinyl]acetic acid
CID 90880690
5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 144718375
5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride
CID 155345649
5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole
CID 143109546
5-(1H-imidazol-2-yl)-2-(1H-imidazol-5-yl)-1H-imidazole
CID 164804423
3-(1H-imidazol-5-yl)-4,5-dimethylpyridine
CID 20580692

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (CID 10397296) is (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is C1=C(c2cnc[nH]2)C[C@@H]2CNC[C@H]12.
What is the InChIKey of (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is HHWXPWIPHCTDHJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H13N3/c1-7(10-5-12-6-13-10)2-9-4-11-3-8(1)9/h1,5-6,8-9,11H,2-4H2,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
(3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 175.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-(1H-imidazol-5-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 10397296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).