1-propan-2-yl-3-prop-2-enoxyurea

C7H14N2O2 — CID 131228005

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

About 1-propan-2-yl-3-prop-2-enoxyurea

1-propan-2-yl-3-prop-2-enoxyurea (PubChem CID 131228005) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-propan-2-yl-3-prop-2-enoxyurea.

Molecular Properties

Compound Name1-propan-2-yl-3-prop-2-enoxyurea
PubChem CID131228005
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-propan-2-yl-3-prop-2-enoxyurea
SMILESC=CCONC(=O)NC(C)C
InChIInChI=1S/C7H14N2O2/c1-4-5-11-9-7(10)8-6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9,10)
InChIKeySTGSBNTUPUTVCM-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': '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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Related Compounds

1-Butoxy-3-prop-2-enylurea
CID 54170543
N-ethyl-5H-1,2-oxazole-2-carboxamide
CID 69528775
5-Methyl-1-prop-2-enoxyimidazolidin-2-one
CID 134378034
(5R)-5-methyl-1-prop-2-enoxyimidazolidin-2-one
CID 173750742
1-But-3-en-2-yl-3-methoxyurea
CID 130702984
1-Methoxy-1-methyl-3-prop-2-enylurea
CID 131110482
1-Methoxy-3-prop-2-enylurea
CID 131153811
1-Ethyl-3-prop-2-enoxyurea
CID 131162690
1-Propan-2-yloxy-3-prop-2-enylurea
CID 131223221
1-Cyclopropyl-3-prop-2-enoxyurea
CID 131228004

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-prop-2-enoxyurea?
The IUPAC name of 1-propan-2-yl-3-prop-2-enoxyurea (CID 131228005) is 1-propan-2-yl-3-prop-2-enoxyurea.
What is the SMILES notation for 1-propan-2-yl-3-prop-2-enoxyurea?
The canonical SMILES for 1-propan-2-yl-3-prop-2-enoxyurea is C=CCONC(=O)NC(C)C.
What is the InChIKey of 1-propan-2-yl-3-prop-2-enoxyurea?
The InChIKey is STGSBNTUPUTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-5-11-9-7(10)8-6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9,10).
What are the key properties of 1-propan-2-yl-3-prop-2-enoxyurea?
1-propan-2-yl-3-prop-2-enoxyurea 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-yl-3-prop-2-enoxyurea is sourced from PubChem (CID 131228005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).