cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen

C15H19NO2 — CID 156740517

IUPACcyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen
SMILESO=C(NCc1ccccc1)OCC1=CCCC=C1.[H][H]
InChIInChI=1S/C15H17NO2.H2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;/h1,3-5,7-10H,2,6,11-12H2,(H,16,17);1H
InChIKeySNTXPPUDKPMBSX-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.44
Rot. Bonds4

About cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen

cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen (PubChem CID 156740517) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen
PubChem CID156740517
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namecyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen
SMILESO=C(NCc1ccccc1)OCC1=CCCC=C1.[H][H]
InChIInChI=1S/C15H17NO2.H2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;/h1,3-5,7-10H,2,6,11-12H2,(H,16,17);1H
InChIKeySNTXPPUDKPMBSX-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen (CID 156740517) is cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen is O=C(NCc1ccccc1)OCC1=CCCC=C1.[H][H].
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen?
The InChIKey is SNTXPPUDKPMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.H2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;/h1,3-5,7-10H,2,6,11-12H2,(H,16,17);1H.
What are the key properties of cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen?
cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen has a molecular weight of 245.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen is sourced from PubChem (CID 156740517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).