benzyl N-indolizin-2-ylcarbamate

C16H14N2O2 — CID 141330018

IUPACbenzyl N-indolizin-2-ylcarbamate
SMILESO=C(Nc1cc2ccccn2c1)OCc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16(20-12-13-6-2-1-3-7-13)17-14-10-15-8-4-5-9-18(15)11-14/h1-11H,12H2,(H,17,19)
InChIKeyIFBQWRCQTZPXPF-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.69
Rot. Bonds3

About benzyl N-indolizin-2-ylcarbamate

benzyl N-indolizin-2-ylcarbamate (PubChem CID 141330018) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is benzyl N-indolizin-2-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-indolizin-2-ylcarbamate
PubChem CID141330018
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namebenzyl N-indolizin-2-ylcarbamate
SMILESO=C(Nc1cc2ccccn2c1)OCc1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16(20-12-13-6-2-1-3-7-13)17-14-10-15-8-4-5-9-18(15)11-14/h1-11H,12H2,(H,17,19)
InChIKeyIFBQWRCQTZPXPF-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-1-ylcarbamate
CID 23187496
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate
CID 67441922
benzyl N-[3-(2-hydroxypropoxymethyl)-5-(phenylmethoxycarbonylamino)phenyl]carbamate
CID 101435909
benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
CID 130157687
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
3-iodo-5-(phenylmethoxycarbonylamino)benzoic acid
CID 130535415
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336

Frequently Asked Questions

What is the IUPAC name of benzyl N-indolizin-2-ylcarbamate?
The IUPAC name of benzyl N-indolizin-2-ylcarbamate (CID 141330018) is benzyl N-indolizin-2-ylcarbamate.
What is the SMILES notation for benzyl N-indolizin-2-ylcarbamate?
The canonical SMILES for benzyl N-indolizin-2-ylcarbamate is O=C(Nc1cc2ccccn2c1)OCc1ccccc1.
What is the InChIKey of benzyl N-indolizin-2-ylcarbamate?
The InChIKey is IFBQWRCQTZPXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20-12-13-6-2-1-3-7-13)17-14-10-15-8-4-5-9-18(15)11-14/h1-11H,12H2,(H,17,19).
What are the key properties of benzyl N-indolizin-2-ylcarbamate?
benzyl N-indolizin-2-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-2-ylcarbamate is sourced from PubChem (CID 141330018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).