cyclohexane;ethylcarbamic acid

C9H19NO2 — CID 175403786

IUPACcyclohexane;ethylcarbamic acid
SMILESC1CCCCC1.CCNC(=O)O
InChIInChI=1S/C6H12.C3H7NO2/c1-2-4-6-5-3-1;1-2-4-3(5)6/h1-6H2;4H,2H2,1H3,(H,5,6)
InChIKeyZUGOLCJXCZBRTQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.61
Rot. Bonds1

About cyclohexane;ethylcarbamic acid

cyclohexane;ethylcarbamic acid (PubChem CID 175403786) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is cyclohexane;ethylcarbamic acid.

Molecular Properties

Compound Namecyclohexane;ethylcarbamic acid
PubChem CID175403786
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namecyclohexane;ethylcarbamic acid
SMILESC1CCCCC1.CCNC(=O)O
InChIInChI=1S/C6H12.C3H7NO2/c1-2-4-6-5-3-1;1-2-4-3(5)6/h1-6H2;4H,2H2,1H3,(H,5,6)
InChIKeyZUGOLCJXCZBRTQ-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethylcarbamic acid?
The IUPAC name of cyclohexane;ethylcarbamic acid (CID 175403786) is cyclohexane;ethylcarbamic acid.
What is the SMILES notation for cyclohexane;ethylcarbamic acid?
The canonical SMILES for cyclohexane;ethylcarbamic acid is C1CCCCC1.CCNC(=O)O.
What is the InChIKey of cyclohexane;ethylcarbamic acid?
The InChIKey is ZUGOLCJXCZBRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H7NO2/c1-2-4-6-5-3-1;1-2-4-3(5)6/h1-6H2;4H,2H2,1H3,(H,5,6).
What are the key properties of cyclohexane;ethylcarbamic acid?
cyclohexane;ethylcarbamic acid has a molecular weight of 173.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethylcarbamic acid is sourced from PubChem (CID 175403786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).