5-oxaspiro[3.5]nonan-8-ylurea

C9H16N2O2 — CID 131086736

IUPAC5-oxaspiro[3.5]nonan-8-ylurea
SMILESNC(=O)NC1CCOC2(CCC2)C1
InChIInChI=1S/C9H16N2O2/c10-8(12)11-7-2-5-13-9(6-7)3-1-4-9/h7H,1-6H2,(H3,10,11,12)
InChIKeyPINIDZYZKSWPIG-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.76
Rot. Bonds1

About 5-oxaspiro[3.5]nonan-8-ylurea

5-oxaspiro[3.5]nonan-8-ylurea (PubChem CID 131086736) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-ylurea.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-ylurea
PubChem CID131086736
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-oxaspiro[3.5]nonan-8-ylurea
SMILESNC(=O)NC1CCOC2(CCC2)C1
InChIInChI=1S/C9H16N2O2/c10-8(12)11-7-2-5-13-9(6-7)3-1-4-9/h7H,1-6H2,(H3,10,11,12)
InChIKeyPINIDZYZKSWPIG-UHFFFAOYSA-N
XLogP0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea
CID 83120645
1-cyclobutyl-1-methyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235748
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79895294
N,N-dimethyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79894932
1-cyclopropyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)ethanol
CID 79903192
(3aS,6aR)-2-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122007075
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
CID 79895269

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-ylurea?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-ylurea (CID 131086736) is 5-oxaspiro[3.5]nonan-8-ylurea.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-ylurea?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-ylurea is NC(=O)NC1CCOC2(CCC2)C1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-ylurea?
The InChIKey is PINIDZYZKSWPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-8(12)11-7-2-5-13-9(6-7)3-1-4-9/h7H,1-6H2,(H3,10,11,12).
What are the key properties of 5-oxaspiro[3.5]nonan-8-ylurea?
5-oxaspiro[3.5]nonan-8-ylurea has a molecular weight of 184.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-ylurea is sourced from PubChem (CID 131086736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).