(3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C11H19N — CID 155397308

IUPAC(3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC=C(C)C1CC[C@@H]2CN(C)C[C@H]12
InChIInChI=1S/C11H19N/c1-8(2)10-5-4-9-6-12(3)7-11(9)10/h9-11H,1,4-7H2,2-3H3/t9-,10?,11+/m1/s1
InChIKeySGZOHQLEZBZWSO-FBKFWFMHSA-N
MW165.28 g/mol
LogP2.15
Rot. Bonds1

About (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 155397308) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID155397308
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC=C(C)C1CC[C@@H]2CN(C)C[C@H]12
InChIInChI=1S/C11H19N/c1-8(2)10-5-4-9-6-12(3)7-11(9)10/h9-11H,1,4-7H2,2-3H3/t9-,10?,11+/m1/s1
InChIKeySGZOHQLEZBZWSO-FBKFWFMHSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 155397308) is (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is C=C(C)C1CC[C@@H]2CN(C)C[C@H]12.
What is the InChIKey of (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is SGZOHQLEZBZWSO-FBKFWFMHSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10-5-4-9-6-12(3)7-11(9)10/h9-11H,1,4-7H2,2-3H3/t9-,10?,11+/m1/s1.
What are the key properties of (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 165.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-methyl-4-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 155397308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).