7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid

C19H32N2O4 — CID 70475611

IUPAC7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid
SMILESO=C(O)C=CCCCCC1CNC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C19H32N2O4/c22-17(15-8-4-3-5-9-15)12-13-21-16(14-20-19(21)25)10-6-1-2-7-11-18(23)24/h7,11,15-17,22H,1-6,8-10,12-14H2,(H,20,25)(H,23,24)
InChIKeyFULMMCHGDWTRBF-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.91
Rot. Bonds10

About 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid

7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid (PubChem CID 70475611) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid.

Molecular Properties

Compound Name7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid
PubChem CID70475611
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid
SMILESO=C(O)C=CCCCCC1CNC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C19H32N2O4/c22-17(15-8-4-3-5-9-15)12-13-21-16(14-20-19(21)25)10-6-1-2-7-11-18(23)24/h7,11,15-17,22H,1-6,8-10,12-14H2,(H,20,25)(H,23,24)
InChIKeyFULMMCHGDWTRBF-UHFFFAOYSA-N
XLogP2.91
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hept-5-enoic acid
CID 12773649
7-[(4R)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 11451483
7-[3-(3-cycloheptyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12788638
(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 90878993
7-[3-(3-cyclohexyl-3-hydroxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]heptanoic acid
CID 88798462
6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid
CID 11316009
7-[(1S,2S,3R,4R)-3-(3-cyclohexyl-3-hydroxypropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hepta-2,5-dienoic acid
CID 56631227
1-cycloheptylhex-5-en-1-ol
CID 65399153
(5S)-4-(cyclohexylmethyl)-1-[4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]-5-(2-methylpropyl)piperazine-2,3-dione
CID 53301774
(E)-7-(1-benzyl-2-oxopiperidin-3-yl)hept-2-enoic acid
CID 122399337
9,10-dihydroxydec-2-enoic acid
CID 74394352
11,12-dihydroxydodec-2-enoic acid
CID 154629729

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid?
The IUPAC name of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid (CID 70475611) is 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid.
What is the SMILES notation for 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid?
The canonical SMILES for 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid is O=C(O)C=CCCCCC1CNC(=O)N1CCC(O)C1CCCCC1.
What is the InChIKey of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid?
The InChIKey is FULMMCHGDWTRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c22-17(15-8-4-3-5-9-15)12-13-21-16(14-20-19(21)25)10-6-1-2-7-11-18(23)24/h7,11,15-17,22H,1-6,8-10,12-14H2,(H,20,25)(H,23,24).
What are the key properties of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid?
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid has a molecular weight of 352.48 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxoimidazolidin-4-yl]hept-2-enoic acid is sourced from PubChem (CID 70475611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).