3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea

C12H18N2S — CID 143208284

IUPAC3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea
SMILESC=C(CC1CCC=C1/C=C/C)NC(N)=S
InChIInChI=1S/C12H18N2S/c1-3-5-10-6-4-7-11(10)8-9(2)14-12(13)15/h3,5-6,11H,2,4,7-8H2,1H3,(H3,13,14,15)/b5-3+
InChIKeyIYQXUXDDQBLZKY-HWKANZROSA-N
MW222.36 g/mol
LogP2.64
Rot. Bonds4

About 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea

3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea (PubChem CID 143208284) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea.

Molecular Properties

Compound Name3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea
PubChem CID143208284
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea
SMILESC=C(CC1CCC=C1/C=C/C)NC(N)=S
InChIInChI=1S/C12H18N2S/c1-3-5-10-6-4-7-11(10)8-9(2)14-12(13)15/h3,5-6,11H,2,4,7-8H2,1H3,(H3,13,14,15)/b5-3+
InChIKeyIYQXUXDDQBLZKY-HWKANZROSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea?
The IUPAC name of 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea (CID 143208284) is 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea.
What is the SMILES notation for 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea?
The canonical SMILES for 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea is C=C(CC1CCC=C1/C=C/C)NC(N)=S.
What is the InChIKey of 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea?
The InChIKey is IYQXUXDDQBLZKY-HWKANZROSA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-5-10-6-4-7-11(10)8-9(2)14-12(13)15/h3,5-6,11H,2,4,7-8H2,1H3,(H3,13,14,15)/b5-3+.
What are the key properties of 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea?
3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea has a molecular weight of 222.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]prop-1-en-2-ylthiourea is sourced from PubChem (CID 143208284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).