(3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]

C10H17N — CID 170151755

IUPAC(3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]
SMILESC[C@]12CNC[C@H]1CCC21CC1
InChIInChI=1S/C10H17N/c1-9-7-11-6-8(9)2-3-10(9)4-5-10/h8,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyFKVJNQOMELECOX-BDAKNGLRSA-N
MW151.25 g/mol
LogP1.79
Rot. Bonds

About (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]

(3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane] (PubChem CID 170151755) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane].

Molecular Properties

Compound Name(3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]
PubChem CID170151755
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]
SMILESC[C@]12CNC[C@H]1CCC21CC1
InChIInChI=1S/C10H17N/c1-9-7-11-6-8(9)2-3-10(9)4-5-10/h8,11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyFKVJNQOMELECOX-BDAKNGLRSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]?
The IUPAC name of (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane] (CID 170151755) is (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane].
What is the SMILES notation for (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]?
The canonical SMILES for (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane] is C[C@]12CNC[C@H]1CCC21CC1.
What is the InChIKey of (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]?
The InChIKey is FKVJNQOMELECOX-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H17N/c1-9-7-11-6-8(9)2-3-10(9)4-5-10/h8,11H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane]?
(3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane] has a molecular weight of 151.25 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a-methylspiro[1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole-4,1'-cyclopropane] is sourced from PubChem (CID 170151755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).