(5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate

C18H19NO2 — CID 134096597

IUPAC(5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate
SMILESNC(=O)OC1CCCc2ccccc2C1c1ccccc1
InChIInChI=1S/C18H19NO2/c19-18(20)21-16-12-6-10-13-7-4-5-11-15(13)17(16)14-8-2-1-3-9-14/h1-5,7-9,11,16-17H,6,10,12H2,(H2,19,20)
InChIKeyPQECUQLJZWLWKW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds2

About (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate

(5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate (PubChem CID 134096597) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate.

Molecular Properties

Compound Name(5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate
PubChem CID134096597
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate
SMILESNC(=O)OC1CCCc2ccccc2C1c1ccccc1
InChIInChI=1S/C18H19NO2/c19-18(20)21-16-12-6-10-13-7-4-5-11-15(13)17(16)14-8-2-1-3-9-14/h1-5,7-9,11,16-17H,6,10,12H2,(H2,19,20)
InChIKeyPQECUQLJZWLWKW-UHFFFAOYSA-N
XLogP3.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate?
The IUPAC name of (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate (CID 134096597) is (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate.
What is the SMILES notation for (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate?
The canonical SMILES for (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate is NC(=O)OC1CCCc2ccccc2C1c1ccccc1.
What is the InChIKey of (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate?
The InChIKey is PQECUQLJZWLWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c19-18(20)21-16-12-6-10-13-7-4-5-11-15(13)17(16)14-8-2-1-3-9-14/h1-5,7-9,11,16-17H,6,10,12H2,(H2,19,20).
What are the key properties of (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate?
(5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate has a molecular weight of 281.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate is sourced from PubChem (CID 134096597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).