phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate

C17H16N2O2 — CID 154687318

IUPACphenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate
SMILESN#CC1=CC2=C(CC1)CC(NC(=O)Oc1ccccc1)C2
InChIInChI=1S/C17H16N2O2/c18-11-12-6-7-13-9-15(10-14(13)8-12)19-17(20)21-16-4-2-1-3-5-16/h1-5,8,15H,6-7,9-10H2,(H,19,20)
InChIKeyHBVCNHRHIBVAOP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.48
Rot. Bonds2

About phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate

phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate (PubChem CID 154687318) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate
PubChem CID154687318
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namephenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate
SMILESN#CC1=CC2=C(CC1)CC(NC(=O)Oc1ccccc1)C2
InChIInChI=1S/C17H16N2O2/c18-11-12-6-7-13-9-15(10-14(13)8-12)19-17(20)21-16-4-2-1-3-5-16/h1-5,8,15H,6-7,9-10H2,(H,19,20)
InChIKeyHBVCNHRHIBVAOP-UHFFFAOYSA-N
XLogP3.48
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate?
The IUPAC name of phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate (CID 154687318) is phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate.
What is the SMILES notation for phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate?
The canonical SMILES for phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate is N#CC1=CC2=C(CC1)CC(NC(=O)Oc1ccccc1)C2.
What is the InChIKey of phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate?
The InChIKey is HBVCNHRHIBVAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-11-12-6-7-13-9-15(10-14(13)8-12)19-17(20)21-16-4-2-1-3-5-16/h1-5,8,15H,6-7,9-10H2,(H,19,20).
What are the key properties of phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate?
phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate has a molecular weight of 280.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(6-cyano-2,3,4,5-tetrahydro-1H-inden-2-yl)carbamate is sourced from PubChem (CID 154687318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).