benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate

C15H19NO3 — CID 15932630

IUPACbenzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
SMILESO=C(NC1CCC2(CC1)CO2)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c17-14(18-10-12-4-2-1-3-5-12)16-13-6-8-15(9-7-13)11-19-15/h1-5,13H,6-11H2,(H,16,17)
InChIKeyJTCNBIAQXNIGKZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.62
Rot. Bonds3

About benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate

benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate (PubChem CID 15932630) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
PubChem CID15932630
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
SMILESO=C(NC1CCC2(CC1)CO2)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c17-14(18-10-12-4-2-1-3-5-12)16-13-6-8-15(9-7-13)11-19-15/h1-5,13H,6-11H2,(H,16,17)
InChIKeyJTCNBIAQXNIGKZ-UHFFFAOYSA-N
XLogP2.62
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate?
The IUPAC name of benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate (CID 15932630) is benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate.
What is the SMILES notation for benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate?
The canonical SMILES for benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate is O=C(NC1CCC2(CC1)CO2)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate?
The InChIKey is JTCNBIAQXNIGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18-10-12-4-2-1-3-5-12)16-13-6-8-15(9-7-13)11-19-15/h1-5,13H,6-11H2,(H,16,17).
What are the key properties of benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate?
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate is sourced from PubChem (CID 15932630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).