1-cyclopropyl-3-prop-2-enoxyurea

C7H12N2O2 — CID 131228004

IUPAC1-cyclopropyl-3-prop-2-enoxyurea
SMILESC=CCONC(=O)NC1CC1
InChIInChI=1S/C7H12N2O2/c1-2-5-11-9-7(10)8-6-3-4-6/h2,6H,1,3-5H2,(H2,8,9,10)
InChIKeyUHMFMCNZEQNLJO-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.57
Rot. Bonds4

About 1-cyclopropyl-3-prop-2-enoxyurea

1-cyclopropyl-3-prop-2-enoxyurea (PubChem CID 131228004) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-cyclopropyl-3-prop-2-enoxyurea.

Molecular Properties

Compound Name1-cyclopropyl-3-prop-2-enoxyurea
PubChem CID131228004
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-cyclopropyl-3-prop-2-enoxyurea
SMILESC=CCONC(=O)NC1CC1
InChIInChI=1S/C7H12N2O2/c1-2-5-11-9-7(10)8-6-3-4-6/h2,6H,1,3-5H2,(H2,8,9,10)
InChIKeyUHMFMCNZEQNLJO-UHFFFAOYSA-N
XLogP0.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-prop-2-enoxyurea?
The IUPAC name of 1-cyclopropyl-3-prop-2-enoxyurea (CID 131228004) is 1-cyclopropyl-3-prop-2-enoxyurea.
What is the SMILES notation for 1-cyclopropyl-3-prop-2-enoxyurea?
The canonical SMILES for 1-cyclopropyl-3-prop-2-enoxyurea is C=CCONC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-prop-2-enoxyurea?
The InChIKey is UHMFMCNZEQNLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-5-11-9-7(10)8-6-3-4-6/h2,6H,1,3-5H2,(H2,8,9,10).
What are the key properties of 1-cyclopropyl-3-prop-2-enoxyurea?
1-cyclopropyl-3-prop-2-enoxyurea has a molecular weight of 156.18 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-prop-2-enoxyurea is sourced from PubChem (CID 131228004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).