cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate

C12H19NO2 — CID 155132308

IUPACcyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OCC1=CCCC=C1
InChIInChI=1S/C12H19NO2/c1-10(2)8-13-12(14)15-9-11-6-4-3-5-7-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,13,14)
InChIKeyUYKLMJGOPJBPFJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.64
Rot. Bonds4

About cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate

cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate (PubChem CID 155132308) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
PubChem CID155132308
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namecyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OCC1=CCCC=C1
InChIInChI=1S/C12H19NO2/c1-10(2)8-13-12(14)15-9-11-6-4-3-5-7-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,13,14)
InChIKeyUYKLMJGOPJBPFJ-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexa-1,5-dien-1-ylmethyl N-benzylcarbamate;molecular hydrogen
CID 156740517
2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)butanedioic acid
CID 22094676
cyclohexa-1,5-dien-1-ylmethyl (2S)-3-methoxy-2-(propan-2-yloxycarbonylamino)propanoate
CID 144572286
methyl 2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)-2-diethoxyphosphorylacetate
CID 123720732
cyclohexa-1,5-dien-1-ylmethyl (2S)-2-(methylamino)-4-oxopentanoate
CID 145192095
cyclohepta-1,6-dien-1-ylmethyl (2S)-2-aminopropanoate
CID 172578392
cyclohexa-1,5-dien-1-ylmethyl N-[4-[benzyl(prop-1-en-2-yl)amino]-3-methyl-1-phenylbutan-2-yl]carbamate
CID 144763143
cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate
CID 134109882
cyclohexa-1,5-dien-1-ylmethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
CID 143746438
(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate
CID 91305946
cyclohexa-1,5-dien-1-ylmethyl methanesulfonate
CID 163680872
(4-nitrophenyl)methyl N-(2-methylpropyl)carbamate
CID 22367016

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate (CID 155132308) is cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate is CC(C)CNC(=O)OCC1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate?
The InChIKey is UYKLMJGOPJBPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)8-13-12(14)15-9-11-6-4-3-5-7-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,13,14).
What are the key properties of cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate?
cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate has a molecular weight of 209.29 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-(2-methylpropyl)carbamate is sourced from PubChem (CID 155132308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).