1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea

C12H20N2O3 — CID 130752274

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20N2O3/c1-2-7-13-11(15)14-10-3-5-12(6-4-10)16-8-9-17-12/h2,10H,1,3-9H2,(H2,13,14,15)
InChIKeyCKBJZOAFQIEKGZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.16
Rot. Bonds3

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea (PubChem CID 130752274) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
PubChem CID130752274
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20N2O3/c1-2-7-13-11(15)14-10-3-5-12(6-4-10)16-8-9-17-12/h2,10H,1,3-9H2,(H2,13,14,15)
InChIKeyCKBJZOAFQIEKGZ-UHFFFAOYSA-N
XLogP1.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide
CID 102852267
1-(4-hydroxycyclohexyl)-3-prop-2-enylurea
CID 130701517
1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
CID 110865945
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea
CID 112994194
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide
CID 164651542
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
CID 112729599
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95598578
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide
CID 78918296
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 47066128
N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide
CID 79041077
1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea
CID 97337864

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea (CID 130752274) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea is C=CCNC(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea?
The InChIKey is CKBJZOAFQIEKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-7-13-11(15)14-10-3-5-12(6-4-10)16-8-9-17-12/h2,10H,1,3-9H2,(H2,13,14,15).
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea has a molecular weight of 240.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea is sourced from PubChem (CID 130752274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).