1,1-dibutoxy-3-ethenylurea

C11H22N2O3 — CID 160800511

IUPAC1,1-dibutoxy-3-ethenylurea
SMILESC=CNC(=O)N(OCCCC)OCCCC
InChIInChI=1S/C11H22N2O3/c1-4-7-9-15-13(11(14)12-6-3)16-10-8-5-2/h6H,3-5,7-10H2,1-2H3,(H,12,14)
InChIKeySCZXVGHYZKEYQC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.60
Rot. Bonds9

About 1,1-dibutoxy-3-ethenylurea

1,1-dibutoxy-3-ethenylurea (PubChem CID 160800511) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,1-dibutoxy-3-ethenylurea.

Molecular Properties

Compound Name1,1-dibutoxy-3-ethenylurea
PubChem CID160800511
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1,1-dibutoxy-3-ethenylurea
SMILESC=CNC(=O)N(OCCCC)OCCCC
InChIInChI=1S/C11H22N2O3/c1-4-7-9-15-13(11(14)12-6-3)16-10-8-5-2/h6H,3-5,7-10H2,1-2H3,(H,12,14)
InChIKeySCZXVGHYZKEYQC-UHFFFAOYSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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butyl N-[(1E)-buta-1,3-dienyl]carbamate
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buta-1,3-diene;butyl hydrogen carbonate
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1,1,3-tris(butoxymethyl)urea
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butyl carbamate;prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutoxy-3-ethenylurea?
The IUPAC name of 1,1-dibutoxy-3-ethenylurea (CID 160800511) is 1,1-dibutoxy-3-ethenylurea.
What is the SMILES notation for 1,1-dibutoxy-3-ethenylurea?
The canonical SMILES for 1,1-dibutoxy-3-ethenylurea is C=CNC(=O)N(OCCCC)OCCCC.
What is the InChIKey of 1,1-dibutoxy-3-ethenylurea?
The InChIKey is SCZXVGHYZKEYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-7-9-15-13(11(14)12-6-3)16-10-8-5-2/h6H,3-5,7-10H2,1-2H3,(H,12,14).
What are the key properties of 1,1-dibutoxy-3-ethenylurea?
1,1-dibutoxy-3-ethenylurea has a molecular weight of 230.31 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutoxy-3-ethenylurea is sourced from PubChem (CID 160800511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).