1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea

C8H13N3OS — CID 5192856

IUPAC1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNC(=O)C1CC1
InChIInChI=1S/C8H13N3OS/c1-2-5-9-8(13)11-10-7(12)6-3-4-6/h2,6H,1,3-5H2,(H,10,12)(H2,9,11,13)
InChIKeySVMGNZSWCFOLRA-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.08
Rot. Bonds3

About 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea

1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea (PubChem CID 5192856) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea
PubChem CID5192856
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNC(=O)C1CC1
InChIInChI=1S/C8H13N3OS/c1-2-5-9-8(13)11-10-7(12)6-3-4-6/h2,6H,1,3-5H2,(H,10,12)(H2,9,11,13)
InChIKeySVMGNZSWCFOLRA-UHFFFAOYSA-N
XLogP0.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea?
The IUPAC name of 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea (CID 5192856) is 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea is C=CCNC(=S)NNC(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea?
The InChIKey is SVMGNZSWCFOLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-5-9-8(13)11-10-7(12)6-3-4-6/h2,6H,1,3-5H2,(H,10,12)(H2,9,11,13).
What are the key properties of 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea?
1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea has a molecular weight of 199.28 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea is sourced from PubChem (CID 5192856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).