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

C10H17NO2 — CID 142348228

IUPACcyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen
SMILESCCNC(=O)OCC1=CCCC=C1.[H][H]
InChIInChI=1S/C10H15NO2.H2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9;/h4,6-7H,2-3,5,8H2,1H3,(H,11,12);1H
InChIKeyOZCWTRNAYFEUIR-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.25
Rot. Bonds3

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

cyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen (PubChem CID 142348228) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen
PubChem CID142348228
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen
SMILESCCNC(=O)OCC1=CCCC=C1.[H][H]
InChIInChI=1S/C10H15NO2.H2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9;/h4,6-7H,2-3,5,8H2,1H3,(H,11,12);1H
InChIKeyOZCWTRNAYFEUIR-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.25
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-ethylcarbamate;molecular hydrogen?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen (CID 142348228) is cyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen is CCNC(=O)OCC1=CCCC=C1.[H][H].
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen?
The InChIKey is OZCWTRNAYFEUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.H2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9;/h4,6-7H,2-3,5,8H2,1H3,(H,11,12);1H.
What are the key properties of cyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen?
cyclohexa-1,5-dien-1-ylmethyl N-ethylcarbamate;molecular hydrogen has a molecular weight of 183.25 g/mol, XLogP of 2.25, 3 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-ethylcarbamate;molecular hydrogen is sourced from PubChem (CID 142348228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).