(2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine

C12H23NO — CID 170032589

IUPAC(2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine
SMILESC=C(OC(C)C)[C@H]1CCCN1C(C)C
InChIInChI=1S/C12H23NO/c1-9(2)13-8-6-7-12(13)11(5)14-10(3)4/h9-10,12H,5-8H2,1-4H3/t12-/m1/s1
InChIKeyFODUSHJJARJERK-GFCCVEGCSA-N
MW197.32 g/mol
LogP2.80
Rot. Bonds4

About (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine

(2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine (PubChem CID 170032589) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine
PubChem CID170032589
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine
SMILESC=C(OC(C)C)[C@H]1CCCN1C(C)C
InChIInChI=1S/C12H23NO/c1-9(2)13-8-6-7-12(13)11(5)14-10(3)4/h9-10,12H,5-8H2,1-4H3/t12-/m1/s1
InChIKeyFODUSHJJARJERK-GFCCVEGCSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine?
The IUPAC name of (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine (CID 170032589) is (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine?
The canonical SMILES for (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine is C=C(OC(C)C)[C@H]1CCCN1C(C)C.
What is the InChIKey of (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine?
The InChIKey is FODUSHJJARJERK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)13-8-6-7-12(13)11(5)14-10(3)4/h9-10,12H,5-8H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine?
(2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propan-2-yl-2-(1-propan-2-yloxyethenyl)pyrrolidine is sourced from PubChem (CID 170032589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).