(3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine

C11H21N — CID 134243115

IUPAC(3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine
SMILESCC(C)=C1CNC[C@@]1(C)C(C)C
InChIInChI=1S/C11H21N/c1-8(2)10-6-12-7-11(10,5)9(3)4/h9,12H,6-7H2,1-5H3/t11-/m0/s1
InChIKeyOEJYBDJLBCJSJL-NSHDSACASA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds1

About (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine

(3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine (PubChem CID 134243115) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine.

Molecular Properties

Compound Name(3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine
PubChem CID134243115
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine
SMILESCC(C)=C1CNC[C@@]1(C)C(C)C
InChIInChI=1S/C11H21N/c1-8(2)10-6-12-7-11(10,5)9(3)4/h9,12H,6-7H2,1-5H3/t11-/m0/s1
InChIKeyOEJYBDJLBCJSJL-NSHDSACASA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
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 (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine?
The IUPAC name of (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine (CID 134243115) is (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine.
What is the SMILES notation for (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine?
The canonical SMILES for (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine is CC(C)=C1CNC[C@@]1(C)C(C)C.
What is the InChIKey of (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine?
The InChIKey is OEJYBDJLBCJSJL-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10-6-12-7-11(10,5)9(3)4/h9,12H,6-7H2,1-5H3/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine?
(3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-propan-2-yl-4-propan-2-ylidenepyrrolidine is sourced from PubChem (CID 134243115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).