benzyl 2H-azete-1-carboxylate

C11H11NO2 — CID 140983848

IUPACbenzyl 2H-azete-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CC1
InChIInChI=1S/C11H11NO2/c13-11(12-7-4-8-12)14-9-10-5-2-1-3-6-10/h1-7H,8-9H2
InChIKeySRABNDBQAILIJE-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.15
Rot. Bonds2

About benzyl 2H-azete-1-carboxylate

benzyl 2H-azete-1-carboxylate (PubChem CID 140983848) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is benzyl 2H-azete-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2H-azete-1-carboxylate
PubChem CID140983848
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namebenzyl 2H-azete-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CC1
InChIInChI=1S/C11H11NO2/c13-11(12-7-4-8-12)14-9-10-5-2-1-3-6-10/h1-7H,8-9H2
InChIKeySRABNDBQAILIJE-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 3,4-dihydro-2H-pyridine-1-carboxylate
CID 15637681
benzyl (3S)-3-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
CID 11031771
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 143937845
benzyl 4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 141237024
benzyl 3-carbamoyl-4-deuterio-4H-pyridine-1-carboxylate
CID 101164836
(1R,4S)-7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 86702797
benzyl 5-bromo-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 11652495
benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate
CID 10707871
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626

Frequently Asked Questions

What is the IUPAC name of benzyl 2H-azete-1-carboxylate?
The IUPAC name of benzyl 2H-azete-1-carboxylate (CID 140983848) is benzyl 2H-azete-1-carboxylate.
What is the SMILES notation for benzyl 2H-azete-1-carboxylate?
The canonical SMILES for benzyl 2H-azete-1-carboxylate is O=C(OCc1ccccc1)N1C=CC1.
What is the InChIKey of benzyl 2H-azete-1-carboxylate?
The InChIKey is SRABNDBQAILIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(12-7-4-8-12)14-9-10-5-2-1-3-6-10/h1-7H,8-9H2.
What are the key properties of benzyl 2H-azete-1-carboxylate?
benzyl 2H-azete-1-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2H-azete-1-carboxylate is sourced from PubChem (CID 140983848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).