N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide

C9H16N2S — CID 15113026

IUPACN-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide
SMILESC=C(C)CNC(=S)N1CCCC1
InChIInChI=1S/C9H16N2S/c1-8(2)7-10-9(12)11-5-3-4-6-11/h1,3-7H2,2H3,(H,10,12)
InChIKeySDRLQUBBMXELTP-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.53
Rot. Bonds2

About N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide

N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide (PubChem CID 15113026) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide
PubChem CID15113026
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide
SMILESC=C(C)CNC(=S)N1CCCC1
InChIInChI=1S/C9H16N2S/c1-8(2)7-10-9(12)11-5-3-4-6-11/h1,3-7H2,2H3,(H,10,12)
InChIKeySDRLQUBBMXELTP-UHFFFAOYSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide?
The IUPAC name of N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide (CID 15113026) is N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide?
The canonical SMILES for N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide is C=C(C)CNC(=S)N1CCCC1.
What is the InChIKey of N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide?
The InChIKey is SDRLQUBBMXELTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-8(2)7-10-9(12)11-5-3-4-6-11/h1,3-7H2,2H3,(H,10,12).
What are the key properties of N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide?
N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide has a molecular weight of 184.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)pyrrolidine-1-carbothioamide is sourced from PubChem (CID 15113026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).