3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine

C9H15NS — CID 139572302

IUPAC3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine
SMILESC=C(C)SC(=C)C1CCNC1
InChIInChI=1S/C9H15NS/c1-7(2)11-8(3)9-4-5-10-6-9/h9-10H,1,3-6H2,2H3
InChIKeyZJZAMHNXGLUCFO-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.38
Rot. Bonds3

About 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine

3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine (PubChem CID 139572302) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine.

Molecular Properties

Compound Name3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine
PubChem CID139572302
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine
SMILESC=C(C)SC(=C)C1CCNC1
InChIInChI=1S/C9H15NS/c1-7(2)11-8(3)9-4-5-10-6-9/h9-10H,1,3-6H2,2H3
InChIKeyZJZAMHNXGLUCFO-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 124011774
CID 124011774
CID 139504086
CID 139504086
CID 13901686
CID 13901686
CID 107295735
CID 107295735
CID 107295786
CID 107295786
CID 107295843
CID 107295843
CID 143851764
CID 143851764

Frequently Asked Questions

What is the IUPAC name of 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine?
The IUPAC name of 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine (CID 139572302) is 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine.
What is the SMILES notation for 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine?
The canonical SMILES for 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine is C=C(C)SC(=C)C1CCNC1.
What is the InChIKey of 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine?
The InChIKey is ZJZAMHNXGLUCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7(2)11-8(3)9-4-5-10-6-9/h9-10H,1,3-6H2,2H3.
What are the key properties of 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine?
3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine has a molecular weight of 169.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-1-en-2-ylsulfanylethenyl)pyrrolidine is sourced from PubChem (CID 139572302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).