1-propan-2-yloxy-3-prop-2-enylurea

C7H14N2O2 — CID 131223221

IUPAC1-propan-2-yloxy-3-prop-2-enylurea
SMILESC=CCNC(=O)NOC(C)C
InChIInChI=1S/C7H14N2O2/c1-4-5-8-7(10)9-11-6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9,10)
InChIKeyNOIAZCFIDXNOKO-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.81
Rot. Bonds4

About 1-propan-2-yloxy-3-prop-2-enylurea

1-propan-2-yloxy-3-prop-2-enylurea (PubChem CID 131223221) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-prop-2-enylurea.

Molecular Properties

Compound Name1-propan-2-yloxy-3-prop-2-enylurea
PubChem CID131223221
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-propan-2-yloxy-3-prop-2-enylurea
SMILESC=CCNC(=O)NOC(C)C
InChIInChI=1S/C7H14N2O2/c1-4-5-8-7(10)9-11-6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9,10)
InChIKeyNOIAZCFIDXNOKO-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-prop-2-enylurea?
The IUPAC name of 1-propan-2-yloxy-3-prop-2-enylurea (CID 131223221) is 1-propan-2-yloxy-3-prop-2-enylurea.
What is the SMILES notation for 1-propan-2-yloxy-3-prop-2-enylurea?
The canonical SMILES for 1-propan-2-yloxy-3-prop-2-enylurea is C=CCNC(=O)NOC(C)C.
What is the InChIKey of 1-propan-2-yloxy-3-prop-2-enylurea?
The InChIKey is NOIAZCFIDXNOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-5-8-7(10)9-11-6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9,10).
What are the key properties of 1-propan-2-yloxy-3-prop-2-enylurea?
1-propan-2-yloxy-3-prop-2-enylurea has a molecular weight of 158.20 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-prop-2-enylurea is sourced from PubChem (CID 131223221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).