(1-methoxycarbonylcyclohexyl)azanium

C8H16NO2+ — CID 4048818

IUPAC(1-methoxycarbonylcyclohexyl)azanium
SMILESCOC(=O)C1([NH3+])CCCCC1
InChIInChI=1S/C8H15NO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-6,9H2,1H3/p+1
InChIKeyKRDTUMQGDPZWMF-UHFFFAOYSA-O
MW158.22 g/mol
LogP0.10
Rot. Bonds1

About (1-methoxycarbonylcyclohexyl)azanium

(1-methoxycarbonylcyclohexyl)azanium (PubChem CID 4048818) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is (1-methoxycarbonylcyclohexyl)azanium.

Molecular Properties

Compound Name(1-methoxycarbonylcyclohexyl)azanium
PubChem CID4048818
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(1-methoxycarbonylcyclohexyl)azanium
SMILESCOC(=O)C1([NH3+])CCCCC1
InChIInChI=1S/C8H15NO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-6,9H2,1H3/p+1
InChIKeyKRDTUMQGDPZWMF-UHFFFAOYSA-O
XLogP0.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycarbonylcyclohexyl)azanium?
The IUPAC name of (1-methoxycarbonylcyclohexyl)azanium (CID 4048818) is (1-methoxycarbonylcyclohexyl)azanium.
What is the SMILES notation for (1-methoxycarbonylcyclohexyl)azanium?
The canonical SMILES for (1-methoxycarbonylcyclohexyl)azanium is COC(=O)C1([NH3+])CCCCC1.
What is the InChIKey of (1-methoxycarbonylcyclohexyl)azanium?
The InChIKey is KRDTUMQGDPZWMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-6,9H2,1H3/p+1.
What are the key properties of (1-methoxycarbonylcyclohexyl)azanium?
(1-methoxycarbonylcyclohexyl)azanium has a molecular weight of 158.22 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycarbonylcyclohexyl)azanium is sourced from PubChem (CID 4048818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).