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

C14H24N2O3 — CID 97337864

IUPAC1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC[C@H]1COC2(CCC(C)CC2)O1
InChIInChI=1S/C14H24N2O3/c1-3-8-15-13(17)16-9-12-10-18-14(19-12)6-4-11(2)5-7-14/h3,11-12H,1,4-10H2,2H3,(H2,15,16,17)/t11?,12-,14?/m0/s1
InChIKeyUITPGNVKOVMYHF-LXVYMNJGSA-N
MW268.36 g/mol
LogP1.79
Rot. Bonds4

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

1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea (PubChem CID 97337864) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea
PubChem CID97337864
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC[C@H]1COC2(CCC(C)CC2)O1
InChIInChI=1S/C14H24N2O3/c1-3-8-15-13(17)16-9-12-10-18-14(19-12)6-4-11(2)5-7-14/h3,11-12H,1,4-10H2,2H3,(H2,15,16,17)/t11?,12-,14?/m0/s1
InChIKeyUITPGNVKOVMYHF-LXVYMNJGSA-N
XLogP1.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methylcarbamoylamino]propanoic acid
CID 122009247
1-(2,2-difluoroethyl)-3-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]urea
CID 97338163
4-[[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122009248
(2S)-2-methyl-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methylsulfanylpropanamide
CID 97338610
2-butoxy-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide
CID 97338626
1,2-dimethyl-3-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine;hydroiodide
CID 86782621
3-methyl-N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 75446722
1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide
CID 97338354
(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
CID 55263052
1-(2,2-difluoroethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)urea
CID 75444525
N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 75446726
N,N-dimethyl-2-[[[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methylamino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110034702

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea?
The IUPAC name of 1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea (CID 97337864) is 1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea is C=CCNC(=O)NC[C@H]1COC2(CCC(C)CC2)O1.
What is the InChIKey of 1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea?
The InChIKey is UITPGNVKOVMYHF-LXVYMNJGSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-8-15-13(17)16-9-12-10-18-14(19-12)6-4-11(2)5-7-14/h3,11-12H,1,4-10H2,2H3,(H2,15,16,17)/t11?,12-,14?/m0/s1.
What are the key properties of 1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea?
1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea has a molecular weight of 268.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea is sourced from PubChem (CID 97337864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).