methyl N-(3-hydroxycyclohexyl)carbamate

C8H15NO3 — CID 103626697

IUPACmethyl N-(3-hydroxycyclohexyl)carbamate
SMILESCOC(=O)NC1CCCC(O)C1
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h6-7,10H,2-5H2,1H3,(H,9,11)
InChIKeyIKBDFNIEPQRLBO-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.65
Rot. Bonds1

About methyl N-(3-hydroxycyclohexyl)carbamate

methyl N-(3-hydroxycyclohexyl)carbamate (PubChem CID 103626697) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl N-(3-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-hydroxycyclohexyl)carbamate
PubChem CID103626697
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl N-(3-hydroxycyclohexyl)carbamate
SMILESCOC(=O)NC1CCCC(O)C1
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h6-7,10H,2-5H2,1H3,(H,9,11)
InChIKeyIKBDFNIEPQRLBO-UHFFFAOYSA-N
XLogP0.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (3-hydroxycyclohexyl)carbamate
CID 21925254
tert-butyl N-(6-hydroxyhexan-2-yl)carbamate
CID 10398452
tert-butyl N-[(1S,3R)-3-hydroxycyclohexyl]carbamate
CID 29949041
Tert-butyl n-[(1r,3s)-3-hydroxycyclohexyl]carbamate
CID 29949044
t-Butyl ((1S,3S)-3-hydroxycyclohexyl)carbamate
CID 29949049
[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid
CID 134247577
(2-Fluoro-5-hydroxycyclohexyl)carbamic acid
CID 134247694
tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate
CID 134253028
N-(3-hydroxycyclohexyl)acetamide
CID 290121
Methyl N-((1R,2R)-2-hydroxycyclohexyl)carbamate
CID 103846249
2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate
CID 61068490
(3-Formamidocyclohexyl) formate
CID 10559091

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-hydroxycyclohexyl)carbamate?
The IUPAC name of methyl N-(3-hydroxycyclohexyl)carbamate (CID 103626697) is methyl N-(3-hydroxycyclohexyl)carbamate.
What is the SMILES notation for methyl N-(3-hydroxycyclohexyl)carbamate?
The canonical SMILES for methyl N-(3-hydroxycyclohexyl)carbamate is COC(=O)NC1CCCC(O)C1.
What is the InChIKey of methyl N-(3-hydroxycyclohexyl)carbamate?
The InChIKey is IKBDFNIEPQRLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h6-7,10H,2-5H2,1H3,(H,9,11).
What are the key properties of methyl N-(3-hydroxycyclohexyl)carbamate?
methyl N-(3-hydroxycyclohexyl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 103626697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).