1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea

C10H16N2S — CID 130635309

IUPAC1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NC1CC=CC1
InChIInChI=1S/C10H16N2S/c1-8(2)7-11-10(13)12-9-5-3-4-6-9/h3-4,9H,1,5-7H2,2H3,(H2,11,12,13)
InChIKeyCFWCTELRTSXTDS-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.75
Rot. Bonds3

About 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea

1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea (PubChem CID 130635309) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea
PubChem CID130635309
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NC1CC=CC1
InChIInChI=1S/C10H16N2S/c1-8(2)7-11-10(13)12-9-5-3-4-6-9/h3-4,9H,1,5-7H2,2H3,(H2,11,12,13)
InChIKeyCFWCTELRTSXTDS-UHFFFAOYSA-N
XLogP1.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.75
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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Related Compounds

1,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]thiourea
CID 102430047
1-t-Butyl-3-(cyclohex-3-en-1-yl)thiourea
CID 156612512
4-(1,4-Cyclohexadienyl)-2-imidazolidinethione
CID 20316860
1-tert-butyl-3-[(E)-4-methylpent-2-enyl]thiourea
CID 21027112
3-Ethylpent-2-enylthiourea
CID 87751961
[(E)-hept-5-en-2-yl]thiourea
CID 87993449
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylthiourea
CID 88939449
1-(Cyclohexa-1,3-dien-1-ylmethyl)-3-ethylthiourea
CID 89386206
1-(3,7-Dimethylocta-2,6-dienyl)-3-methylthiourea
CID 123622745
1-Methyl-3-(4-methylhepta-2,4-dienyl)thiourea
CID 123980171
ethane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-3-[(Z,3E)-3-prop-2-enylidenehept-4-en-2-yl]thiourea
CID 142253618
1-tert-butyl-3-[(3Z)-3-ethenylhexa-3,5-dienyl]thiourea
CID 142317447

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea (CID 130635309) is 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)NC1CC=CC1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is CFWCTELRTSXTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8(2)7-11-10(13)12-9-5-3-4-6-9/h3-4,9H,1,5-7H2,2H3,(H2,11,12,13).
What are the key properties of 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea?
1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 196.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 130635309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).