(1-ethyl-4-hydroxycyclohexyl)carbamic acid

C9H17NO3 — CID 154463220

IUPAC(1-ethyl-4-hydroxycyclohexyl)carbamic acid
SMILESCCC1(NC(=O)O)CCC(O)CC1
InChIInChI=1S/C9H17NO3/c1-2-9(10-8(12)13)5-3-7(11)4-6-9/h7,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyAFFLHZYQYAXQEK-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.34
Rot. Bonds2

About (1-ethyl-4-hydroxycyclohexyl)carbamic acid

(1-ethyl-4-hydroxycyclohexyl)carbamic acid (PubChem CID 154463220) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (1-ethyl-4-hydroxycyclohexyl)carbamic acid.

Molecular Properties

Compound Name(1-ethyl-4-hydroxycyclohexyl)carbamic acid
PubChem CID154463220
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(1-ethyl-4-hydroxycyclohexyl)carbamic acid
SMILESCCC1(NC(=O)O)CCC(O)CC1
InChIInChI=1S/C9H17NO3/c1-2-9(10-8(12)13)5-3-7(11)4-6-9/h7,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyAFFLHZYQYAXQEK-UHFFFAOYSA-N
XLogP1.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-hydroxycyclohexyl)carbamic acid?
The IUPAC name of (1-ethyl-4-hydroxycyclohexyl)carbamic acid (CID 154463220) is (1-ethyl-4-hydroxycyclohexyl)carbamic acid.
What is the SMILES notation for (1-ethyl-4-hydroxycyclohexyl)carbamic acid?
The canonical SMILES for (1-ethyl-4-hydroxycyclohexyl)carbamic acid is CCC1(NC(=O)O)CCC(O)CC1.
What is the InChIKey of (1-ethyl-4-hydroxycyclohexyl)carbamic acid?
The InChIKey is AFFLHZYQYAXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-9(10-8(12)13)5-3-7(11)4-6-9/h7,10-11H,2-6H2,1H3,(H,12,13).
What are the key properties of (1-ethyl-4-hydroxycyclohexyl)carbamic acid?
(1-ethyl-4-hydroxycyclohexyl)carbamic acid has a molecular weight of 187.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-hydroxycyclohexyl)carbamic acid is sourced from PubChem (CID 154463220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).