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

C10H16N2S — CID 142833287

IUPAC3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea
SMILESC=C(CC1C=C(C)CC1)NC(N)=S
InChIInChI=1S/C10H16N2S/c1-7-3-4-9(5-7)6-8(2)12-10(11)13/h5,9H,2-4,6H2,1H3,(H3,11,12,13)
InChIKeyKSERHPPOHNVIPB-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.08
Rot. Bonds3

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

3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea (PubChem CID 142833287) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea.

Molecular Properties

Compound Name3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea
PubChem CID142833287
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea
SMILESC=C(CC1C=C(C)CC1)NC(N)=S
InChIInChI=1S/C10H16N2S/c1-7-3-4-9(5-7)6-8(2)12-10(11)13/h5,9H,2-4,6H2,1H3,(H3,11,12,13)
InChIKeyKSERHPPOHNVIPB-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 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 ≤ 52.08
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-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea?
The IUPAC name of 3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea (CID 142833287) is 3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea.
What is the SMILES notation for 3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea?
The canonical SMILES for 3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea is C=C(CC1C=C(C)CC1)NC(N)=S.
What is the InChIKey of 3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea?
The InChIKey is KSERHPPOHNVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-3-4-9(5-7)6-8(2)12-10(11)13/h5,9H,2-4,6H2,1H3,(H3,11,12,13).
What are the key properties of 3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea?
3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea has a molecular weight of 196.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclopent-2-en-1-yl)prop-1-en-2-ylthiourea is sourced from PubChem (CID 142833287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).