(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate

C9H13NO2 — CID 141274704

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
SMILESCC1C=CC=CC1(C)OC(N)=O
InChIInChI=1S/C9H13NO2/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-7H,1-2H3,(H2,10,11)
InChIKeySSNUMEAHSGJACR-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.60
Rot. Bonds1

About (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate

(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate (PubChem CID 141274704) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
PubChem CID141274704
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
SMILESCC1C=CC=CC1(C)OC(N)=O
InChIInChI=1S/C9H13NO2/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-7H,1-2H3,(H2,10,11)
InChIKeySSNUMEAHSGJACR-UHFFFAOYSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1,6-dimethylcyclohexa-2,4-dien-1-yl) 2,2,2-trichloroacetate
CID 175877756
(1,6-dimethylcyclohexa-2,4-dien-1-yl) decanoate
CID 141493898
(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl 2-methylprop-2-enoate
CID 141487824
bromo 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate
CID 174689520
(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 141141591
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine
CID 140979928
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate
CID 141068386
6-chloro-1-methylcyclohexa-2,4-diene-1-carboxamide
CID 150992639
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide
CID 141314967
1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one
CID 141440234
6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide
CID 151394217

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate (CID 141274704) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate is CC1C=CC=CC1(C)OC(N)=O.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate?
The InChIKey is SSNUMEAHSGJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-7H,1-2H3,(H2,10,11).
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate?
(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate has a molecular weight of 167.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate is sourced from PubChem (CID 141274704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).