prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate

C13H22N2O3 — CID 135238428

IUPACprop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate
SMILESC=CCOC(=O)N(C)C1COC2(CCNCC2)C1
InChIInChI=1S/C13H22N2O3/c1-3-8-17-12(16)15(2)11-9-13(18-10-11)4-6-14-7-5-13/h3,11,14H,1,4-10H2,2H3
InChIKeyXSRZSHGAUPGYQE-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.15
Rot. Bonds3

About prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate

prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate (PubChem CID 135238428) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate
PubChem CID135238428
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameprop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate
SMILESC=CCOC(=O)N(C)C1COC2(CCNCC2)C1
InChIInChI=1S/C13H22N2O3/c1-3-8-17-12(16)15(2)11-9-13(18-10-11)4-6-14-7-5-13/h3,11,14H,1,4-10H2,2H3
InChIKeyXSRZSHGAUPGYQE-UHFFFAOYSA-N
XLogP1.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 105511886
Tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 46835582
Tert-butyl 1-oxa-8-azaspiro[4.5]dec-3-ylcarbamate
CID 71692397
tert-Butyl (S)-3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 86327459
[(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]azanium
CID 86327460
tert-Butyl (R)-3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 86327461
tert-butyl N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
CID 95822266
tert-butyl N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
CID 95822267
Tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502782
tert-butyl (3R)-3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502890
prop-2-enyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
CID 126502891
tert-butyl (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502892

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate?
The IUPAC name of prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate (CID 135238428) is prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate?
The canonical SMILES for prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate is C=CCOC(=O)N(C)C1COC2(CCNCC2)C1.
What is the InChIKey of prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate?
The InChIKey is XSRZSHGAUPGYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-8-17-12(16)15(2)11-9-13(18-10-11)4-6-14-7-5-13/h3,11,14H,1,4-10H2,2H3.
What are the key properties of prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate?
prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate has a molecular weight of 254.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate is sourced from PubChem (CID 135238428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).