benzyl N-indolizin-1-ylcarbamate

C16H14N2O2 — CID 23187496

IUPACbenzyl N-indolizin-1-ylcarbamate
SMILESO=C(Nc1ccn2ccccc12)OCc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16(20-12-13-6-2-1-3-7-13)17-14-9-11-18-10-5-4-8-15(14)18/h1-11H,12H2,(H,17,19)
InChIKeyTZORTQOACFOFAN-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.69
Rot. Bonds3

About benzyl N-indolizin-1-ylcarbamate

benzyl N-indolizin-1-ylcarbamate (PubChem CID 23187496) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is benzyl N-indolizin-1-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-indolizin-1-ylcarbamate
PubChem CID23187496
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namebenzyl N-indolizin-1-ylcarbamate
SMILESO=C(Nc1ccn2ccccc12)OCc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16(20-12-13-6-2-1-3-7-13)17-14-9-11-18-10-5-4-8-15(14)18/h1-11H,12H2,(H,17,19)
InChIKeyTZORTQOACFOFAN-UHFFFAOYSA-N
XLogP3.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-indolizin-2-ylcarbamate
CID 141330018
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374

Frequently Asked Questions

What is the IUPAC name of benzyl N-indolizin-1-ylcarbamate?
The IUPAC name of benzyl N-indolizin-1-ylcarbamate (CID 23187496) is benzyl N-indolizin-1-ylcarbamate.
What is the SMILES notation for benzyl N-indolizin-1-ylcarbamate?
The canonical SMILES for benzyl N-indolizin-1-ylcarbamate is O=C(Nc1ccn2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-indolizin-1-ylcarbamate?
The InChIKey is TZORTQOACFOFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20-12-13-6-2-1-3-7-13)17-14-9-11-18-10-5-4-8-15(14)18/h1-11H,12H2,(H,17,19).
What are the key properties of benzyl N-indolizin-1-ylcarbamate?
benzyl N-indolizin-1-ylcarbamate has a molecular weight of 266.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-indolizin-1-ylcarbamate is sourced from PubChem (CID 23187496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).