(1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate

C11H19NO3 — CID 175544649

IUPAC(1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate
SMILESCC1(C)CC(=O)CCC1(C)COC(N)=O
InChIInChI=1S/C11H19NO3/c1-10(2)6-8(13)4-5-11(10,3)7-15-9(12)14/h4-7H2,1-3H3,(H2,12,14)
InChIKeyXRHUXLLSTDCKPG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.87
Rot. Bonds2

About (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate

(1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate (PubChem CID 175544649) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate.

Molecular Properties

Compound Name(1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate
PubChem CID175544649
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate
SMILESCC1(C)CC(=O)CCC1(C)COC(N)=O
InChIInChI=1S/C11H19NO3/c1-10(2)6-8(13)4-5-11(10,3)7-15-9(12)14/h4-7H2,1-3H3,(H2,12,14)
InChIKeyXRHUXLLSTDCKPG-UHFFFAOYSA-N
XLogP1.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyano-1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate
CID 175544654
4,4-difluoro-3,3-dimethylcyclohexan-1-one
CID 156528016
(2-methylpyrrolidin-2-yl)methyl carbamate
CID 175172887
CID 134865379
CID 134865379
(1-ethylcyclobutyl)methyl carbamate
CID 59266818
3-(4-methoxybutan-2-yl)-3-methylcyclopentan-1-one
CID 116538381
2-amino-2-(2,2-dimethyl-5-oxocyclohexyl)acetamide
CID 165491011
(1-cyanocyclopropyl)methyl carbamate
CID 141209968
carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate
CID 141261019
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
[1-(trifluoromethyl)cyclopropyl]methyl carbamate
CID 151400404
diethyl 2-methyl-2-(1-methyl-3-oxocyclohexyl)propanedioate
CID 13149432

Frequently Asked Questions

What is the IUPAC name of (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate?
The IUPAC name of (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate (CID 175544649) is (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate.
What is the SMILES notation for (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate?
The canonical SMILES for (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate is CC1(C)CC(=O)CCC1(C)COC(N)=O.
What is the InChIKey of (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate?
The InChIKey is XRHUXLLSTDCKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2)6-8(13)4-5-11(10,3)7-15-9(12)14/h4-7H2,1-3H3,(H2,12,14).
What are the key properties of (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate?
(1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2-trimethyl-4-oxocyclohexyl)methyl carbamate is sourced from PubChem (CID 175544649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).