2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H24N4O3 — CID 70726585

IUPAC2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CN1CC1CC1
InChIInChI=1S/C17H24N4O3/c22-14-4-6-17(11-21(14)9-12-2-3-12)5-1-7-20(10-17)15(23)13-8-18-16(24)19-13/h8,12H,1-7,9-11H2,(H2,18,19,24)
InChIKeyLWERSLWEMJRFRT-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.96
Rot. Bonds3

About 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70726585) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70726585
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CN1CC1CC1
InChIInChI=1S/C17H24N4O3/c22-14-4-6-17(11-21(14)9-12-2-3-12)5-1-7-20(10-17)15(23)13-8-18-16(24)19-13/h8,12H,1-7,9-11H2,(H2,18,19,24)
InChIKeyLWERSLWEMJRFRT-UHFFFAOYSA-N
XLogP0.96
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70726585) is 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is LWERSLWEMJRFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-14-4-6-17(11-21(14)9-12-2-3-12)5-1-7-20(10-17)15(23)13-8-18-16(24)19-13/h8,12H,1-7,9-11H2,(H2,18,19,24).
What are the key properties of 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.40 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70726585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).