1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen

C14H28N2O — CID 143290054

IUPAC1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen
SMILESCCNC(=O)NCCCC1CCC=C1C(C)C.[H][H]
InChIInChI=1S/C14H26N2O.H2/c1-4-15-14(17)16-10-6-8-12-7-5-9-13(12)11(2)3;/h9,11-12H,4-8,10H2,1-3H3,(H2,15,16,17);1H
InChIKeyHQPHYOXRRGJHSX-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.32
Rot. Bonds6

About 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen

1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen (PubChem CID 143290054) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen.

Molecular Properties

Compound Name1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen
PubChem CID143290054
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen
SMILESCCNC(=O)NCCCC1CCC=C1C(C)C.[H][H]
InChIInChI=1S/C14H26N2O.H2/c1-4-15-14(17)16-10-6-8-12-7-5-9-13(12)11(2)3;/h9,11-12H,4-8,10H2,1-3H3,(H2,15,16,17);1H
InChIKeyHQPHYOXRRGJHSX-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen?
The IUPAC name of 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen (CID 143290054) is 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen.
What is the SMILES notation for 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen?
The canonical SMILES for 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen is CCNC(=O)NCCCC1CCC=C1C(C)C.[H][H].
What is the InChIKey of 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen?
The InChIKey is HQPHYOXRRGJHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.H2/c1-4-15-14(17)16-10-6-8-12-7-5-9-13(12)11(2)3;/h9,11-12H,4-8,10H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen?
1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen has a molecular weight of 240.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(2-propan-2-ylcyclopent-2-en-1-yl)propyl]urea;molecular hydrogen is sourced from PubChem (CID 143290054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).