9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate

C18H17N5O2 — CID 25188524

IUPAC9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate
SMILESO=C(NCCn1cnnn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17N5O2/c24-18(19-9-10-23-12-20-21-22-23)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,19,24)
InChIKeyAJEMNTVOSJXHII-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.21
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate (PubChem CID 25188524) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate
PubChem CID25188524
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate
SMILESO=C(NCCn1cnnn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17N5O2/c24-18(19-9-10-23-12-20-21-22-23)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,19,24)
InChIKeyAJEMNTVOSJXHII-UHFFFAOYSA-N
XLogP2.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate (CID 25188524) is 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate is O=C(NCCn1cnnn1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate?
The InChIKey is AJEMNTVOSJXHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18(19-9-10-23-12-20-21-22-23)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,19,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate has a molecular weight of 335.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 25188524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).