(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine

C9H17N — CID 134855165

IUPAC(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)[C@H]1CCC(C)N1C
InChIInChI=1S/C9H17N/c1-7(2)9-6-5-8(3)10(9)4/h8-9H,1,5-6H2,2-4H3/t8?,9-/m1/s1
InChIKeyCCLBEVSSXCBYDI-YGPZHTELSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds1

About (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine

(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine (PubChem CID 134855165) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine
PubChem CID134855165
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)[C@H]1CCC(C)N1C
InChIInChI=1S/C9H17N/c1-7(2)9-6-5-8(3)10(9)4/h8-9H,1,5-6H2,2-4H3/t8?,9-/m1/s1
InChIKeyCCLBEVSSXCBYDI-YGPZHTELSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
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 (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine?
The IUPAC name of (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine (CID 134855165) is (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine is C=C(C)[C@H]1CCC(C)N1C.
What is the InChIKey of (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine?
The InChIKey is CCLBEVSSXCBYDI-YGPZHTELSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)9-6-5-8(3)10(9)4/h8-9H,1,5-6H2,2-4H3/t8?,9-/m1/s1.
What are the key properties of (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine?
(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 134855165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).