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

C11H19NO2 — CID 143811336

IUPACcyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen
SMILESCCCNC(=O)OCC1=CCCC=C1.[H][H]
InChIInChI=1S/C11H17NO2.H2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10;/h4,6-7H,2-3,5,8-9H2,1H3,(H,12,13);1H
InChIKeySDLYHXXWMSXVKD-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.64
Rot. Bonds4

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

cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen (PubChem CID 143811336) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen
PubChem CID143811336
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen
SMILESCCCNC(=O)OCC1=CCCC=C1.[H][H]
InChIInChI=1S/C11H17NO2.H2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10;/h4,6-7H,2-3,5,8-9H2,1H3,(H,12,13);1H
InChIKeySDLYHXXWMSXVKD-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.64
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-propylcarbamate;molecular hydrogen?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen (CID 143811336) is cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen is CCCNC(=O)OCC1=CCCC=C1.[H][H].
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen?
The InChIKey is SDLYHXXWMSXVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.H2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10;/h4,6-7H,2-3,5,8-9H2,1H3,(H,12,13);1H.
What are the key properties of cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen?
cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen has a molecular weight of 197.28 g/mol, XLogP of 2.64, 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-propylcarbamate;molecular hydrogen is sourced from PubChem (CID 143811336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).