1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea

C13H25N3O — CID 108911800

IUPAC1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea
SMILESCN(C)CCCNC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C13H25N3O/c1-16(2)11-5-9-14-13(17)15-10-8-12-6-3-4-7-12/h8,10,12H,3-7,9,11H2,1-2H3,(H2,14,15,17)/b10-8+
InChIKeyWIHISSHVLRRIRC-CSKARUKUSA-N
MW239.36 g/mol
LogP1.94
Rot. Bonds6

About 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea

1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea (PubChem CID 108911800) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea
PubChem CID108911800
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea
SMILESCN(C)CCCNC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C13H25N3O/c1-16(2)11-5-9-14-13(17)15-10-8-12-6-3-4-7-12/h8,10,12H,3-7,9,11H2,1-2H3,(H2,14,15,17)/b10-8+
InChIKeyWIHISSHVLRRIRC-CSKARUKUSA-N
XLogP1.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea (CID 108911800) is 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea is CN(C)CCCNC(=O)N/C=C/C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea?
The InChIKey is WIHISSHVLRRIRC-CSKARUKUSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16(2)11-5-9-14-13(17)15-10-8-12-6-3-4-7-12/h8,10,12H,3-7,9,11H2,1-2H3,(H2,14,15,17)/b10-8+.
What are the key properties of 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea?
1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea has a molecular weight of 239.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea is sourced from PubChem (CID 108911800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).