[1-(1-hydroxyethyl)cyclohexyl] carbamate

C9H17NO3 — CID 21393630

IUPAC[1-(1-hydroxyethyl)cyclohexyl] carbamate
SMILESCC(O)C1(OC(N)=O)CCCCC1
InChIInChI=1S/C9H17NO3/c1-7(11)9(13-8(10)12)5-3-2-4-6-9/h7,11H,2-6H2,1H3,(H2,10,12)
InChIKeyVBJCVMVMYQRCJZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.17
Rot. Bonds2

About [1-(1-hydroxyethyl)cyclohexyl] carbamate

[1-(1-hydroxyethyl)cyclohexyl] carbamate (PubChem CID 21393630) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [1-(1-hydroxyethyl)cyclohexyl] carbamate.

Molecular Properties

Compound Name[1-(1-hydroxyethyl)cyclohexyl] carbamate
PubChem CID21393630
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[1-(1-hydroxyethyl)cyclohexyl] carbamate
SMILESCC(O)C1(OC(N)=O)CCCCC1
InChIInChI=1S/C9H17NO3/c1-7(11)9(13-8(10)12)5-3-2-4-6-9/h7,11H,2-6H2,1H3,(H2,10,12)
InChIKeyVBJCVMVMYQRCJZ-UHFFFAOYSA-N
XLogP1.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-hydroxyethyl)cyclohexyl] carbamate?
The IUPAC name of [1-(1-hydroxyethyl)cyclohexyl] carbamate (CID 21393630) is [1-(1-hydroxyethyl)cyclohexyl] carbamate.
What is the SMILES notation for [1-(1-hydroxyethyl)cyclohexyl] carbamate?
The canonical SMILES for [1-(1-hydroxyethyl)cyclohexyl] carbamate is CC(O)C1(OC(N)=O)CCCCC1.
What is the InChIKey of [1-(1-hydroxyethyl)cyclohexyl] carbamate?
The InChIKey is VBJCVMVMYQRCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(11)9(13-8(10)12)5-3-2-4-6-9/h7,11H,2-6H2,1H3,(H2,10,12).
What are the key properties of [1-(1-hydroxyethyl)cyclohexyl] carbamate?
[1-(1-hydroxyethyl)cyclohexyl] carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-hydroxyethyl)cyclohexyl] carbamate is sourced from PubChem (CID 21393630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).