(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole

C8H13N — CID 141370251

IUPAC(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole
SMILESC=C1C[C@H]2CCN[C@@H]2C1
InChIInChI=1S/C8H13N/c1-6-4-7-2-3-9-8(7)5-6/h7-9H,1-5H2/t7-,8-/m1/s1
InChIKeyBHVPPVNXAAPKFP-HTQZYQBOSA-N
MW123.20 g/mol
LogP1.31
Rot. Bonds

About (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole

(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole (PubChem CID 141370251) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole
PubChem CID141370251
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole
SMILESC=C1C[C@H]2CCN[C@@H]2C1
InChIInChI=1S/C8H13N/c1-6-4-7-2-3-9-8(7)5-6/h7-9H,1-5H2/t7-,8-/m1/s1
InChIKeyBHVPPVNXAAPKFP-HTQZYQBOSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole?
The IUPAC name of (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole (CID 141370251) is (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole?
The canonical SMILES for (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole is C=C1C[C@H]2CCN[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole?
The InChIKey is BHVPPVNXAAPKFP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-7-2-3-9-8(7)5-6/h7-9H,1-5H2/t7-,8-/m1/s1.
What are the key properties of (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole?
(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrole is sourced from PubChem (CID 141370251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).