[3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid

C15H22N4O3 — CID 121317706

IUPAC[3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid
SMILESO=C(O)NC1CC=C(c2cncn2CCN2CCOCC2)C1
InChIInChI=1S/C15H22N4O3/c20-15(21)17-13-2-1-12(9-13)14-10-16-11-19(14)4-3-18-5-7-22-8-6-18/h1,10-11,13,17H,2-9H2,(H,20,21)
InChIKeyXNXSCTJJVWSYMC-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.03
Rot. Bonds5

About [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid

[3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid (PubChem CID 121317706) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid.

Molecular Properties

Compound Name[3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid
PubChem CID121317706
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid
SMILESO=C(O)NC1CC=C(c2cncn2CCN2CCOCC2)C1
InChIInChI=1S/C15H22N4O3/c20-15(21)17-13-2-1-12(9-13)14-10-16-11-19(14)4-3-18-5-7-22-8-6-18/h1,10-11,13,17H,2-9H2,(H,20,21)
InChIKeyXNXSCTJJVWSYMC-UHFFFAOYSA-N
XLogP1.03
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid?
The IUPAC name of [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid (CID 121317706) is [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid.
What is the SMILES notation for [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid?
The canonical SMILES for [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid is O=C(O)NC1CC=C(c2cncn2CCN2CCOCC2)C1.
What is the InChIKey of [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid?
The InChIKey is XNXSCTJJVWSYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-15(21)17-13-2-1-12(9-13)14-10-16-11-19(14)4-3-18-5-7-22-8-6-18/h1,10-11,13,17H,2-9H2,(H,20,21).
What are the key properties of [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid?
[3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid has a molecular weight of 306.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-morpholin-4-ylethyl)imidazol-4-yl]cyclopent-3-en-1-yl]carbamic acid is sourced from PubChem (CID 121317706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).