3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea

C11H18N2S — CID 142833337

IUPAC3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea
SMILESC=C(CC1CCCC=C1C)NC(N)=S
InChIInChI=1S/C11H18N2S/c1-8-5-3-4-6-10(8)7-9(2)13-11(12)14/h5,10H,2-4,6-7H2,1H3,(H3,12,13,14)
InChIKeyMZPMUMSGPAQVTI-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.47
Rot. Bonds3

About 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea

3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea (PubChem CID 142833337) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea.

Molecular Properties

Compound Name3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea
PubChem CID142833337
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea
SMILESC=C(CC1CCCC=C1C)NC(N)=S
InChIInChI=1S/C11H18N2S/c1-8-5-3-4-6-10(8)7-9(2)13-11(12)14/h5,10H,2-4,6-7H2,1H3,(H3,12,13,14)
InChIKeyMZPMUMSGPAQVTI-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
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 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea?
The IUPAC name of 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea (CID 142833337) is 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea.
What is the SMILES notation for 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea?
The canonical SMILES for 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea is C=C(CC1CCCC=C1C)NC(N)=S.
What is the InChIKey of 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea?
The InChIKey is MZPMUMSGPAQVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-5-3-4-6-10(8)7-9(2)13-11(12)14/h5,10H,2-4,6-7H2,1H3,(H3,12,13,14).
What are the key properties of 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea?
3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea has a molecular weight of 210.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclohex-2-en-1-yl)prop-1-en-2-ylthiourea is sourced from PubChem (CID 142833337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).