1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea

C10H19N3O2 — CID 143932229

IUPAC1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea
SMILESCNC(=O)NC1CC(O)C2CCCN2C1
InChIInChI=1S/C10H19N3O2/c1-11-10(15)12-7-5-9(14)8-3-2-4-13(8)6-7/h7-9,14H,2-6H2,1H3,(H2,11,12,15)
InChIKeyQKEGQZFCEAXMGR-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.49
Rot. Bonds1

About 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea

1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea (PubChem CID 143932229) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea.

Molecular Properties

Compound Name1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea
PubChem CID143932229
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea
SMILESCNC(=O)NC1CC(O)C2CCCN2C1
InChIInChI=1S/C10H19N3O2/c1-11-10(15)12-7-5-9(14)8-3-2-4-13(8)6-7/h7-9,14H,2-6H2,1H3,(H2,11,12,15)
InChIKeyQKEGQZFCEAXMGR-UHFFFAOYSA-N
XLogP-0.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)urea
CID 143932241
(6R)-6-pyrrolidin-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932220
N-[1-[(1R,2R)-2-hydroxycyclopentyl]pyrrolidin-3-yl]acetamide
CID 102734934
methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate
CID 115537096
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
2-[3-(methylaminomethyl)piperidin-1-yl]cyclopentan-1-ol
CID 61203694
(8S)-6-[ethyl(methyl)amino]-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932217
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
CID 63151120
1-(2-hydroxycyclopentyl)piperidine-3-carboxamide
CID 60712103
tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-hydroxycyclopentyl]piperidin-3-yl]carbamate
CID 156630580
1-cyclopent-3-en-1-yl-3-methylurea
CID 115695215
(1-cyclopropylpiperidin-3-yl)carbamic acid
CID 170157266

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea?
The IUPAC name of 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea (CID 143932229) is 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea.
What is the SMILES notation for 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea?
The canonical SMILES for 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea is CNC(=O)NC1CC(O)C2CCCN2C1.
What is the InChIKey of 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea?
The InChIKey is QKEGQZFCEAXMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-11-10(15)12-7-5-9(14)8-3-2-4-13(8)6-7/h7-9,14H,2-6H2,1H3,(H2,11,12,15).
What are the key properties of 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea?
1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea has a molecular weight of 213.28 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-3-methylurea is sourced from PubChem (CID 143932229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).