(3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene

C12H19NS — CID 142082634

IUPAC(3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene
SMILESC=CCN1CC[C@@H](C)C1.c1ccsc1
InChIInChI=1S/C8H15N.C4H4S/c1-3-5-9-6-4-8(2)7-9;1-2-4-5-3-1/h3,8H,1,4-7H2,2H3;1-4H/t8-;/m1./s1
InChIKeyHOZRBMWABMHCIU-DDWIOCJRSA-N
MW209.36 g/mol
LogP3.26
Rot. Bonds2

About (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene

(3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene (PubChem CID 142082634) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene.

Molecular Properties

Compound Name(3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene
PubChem CID142082634
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene
SMILESC=CCN1CC[C@@H](C)C1.c1ccsc1
InChIInChI=1S/C8H15N.C4H4S/c1-3-5-9-6-4-8(2)7-9;1-2-4-5-3-1/h3,8H,1,4-7H2,2H3;1-4H/t8-;/m1./s1
InChIKeyHOZRBMWABMHCIU-DDWIOCJRSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene?
The IUPAC name of (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene (CID 142082634) is (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene.
What is the SMILES notation for (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene?
The canonical SMILES for (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene is C=CCN1CC[C@@H](C)C1.c1ccsc1.
What is the InChIKey of (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene?
The InChIKey is HOZRBMWABMHCIU-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H15N.C4H4S/c1-3-5-9-6-4-8(2)7-9;1-2-4-5-3-1/h3,8H,1,4-7H2,2H3;1-4H/t8-;/m1./s1.
What are the key properties of (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene?
(3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene has a molecular weight of 209.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-prop-2-enylpyrrolidine;thiophene is sourced from PubChem (CID 142082634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).