(4-methoxycarbonylcuban-1-yl)azanium chloride

C10H12ClNO2 — CID 166451916

IUPAC(4-methoxycarbonylcuban-1-yl)azanium chloride
SMILESCOC(=O)C12C3C4C1C1C2C3C41[NH3+].[Cl-]
InChIInChI=1S/C10H11NO2.ClH/c1-13-8(12)9-2-5-3(9)7-4(9)6(2)10(5,7)11;/h2-7H,11H2,1H3;1H
InChIKeyAMZGEDRFHBTSQT-UHFFFAOYSA-N
MW213.66 g/mol
LogP-4.10
Rot. Bonds1

About (4-methoxycarbonylcuban-1-yl)azanium chloride

(4-methoxycarbonylcuban-1-yl)azanium chloride (PubChem CID 166451916) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (4-methoxycarbonylcuban-1-yl)azanium chloride.

Molecular Properties

Compound Name(4-methoxycarbonylcuban-1-yl)azanium chloride
PubChem CID166451916
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(4-methoxycarbonylcuban-1-yl)azanium chloride
SMILESCOC(=O)C12C3C4C1C1C2C3C41[NH3+].[Cl-]
InChIInChI=1S/C10H11NO2.ClH/c1-13-8(12)9-2-5-3(9)7-4(9)6(2)10(5,7)11;/h2-7H,11H2,1H3;1H
InChIKeyAMZGEDRFHBTSQT-UHFFFAOYSA-N
XLogP-4.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 5-4.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylcuban-1-yl)azanium chloride?
The IUPAC name of (4-methoxycarbonylcuban-1-yl)azanium chloride (CID 166451916) is (4-methoxycarbonylcuban-1-yl)azanium chloride.
What is the SMILES notation for (4-methoxycarbonylcuban-1-yl)azanium chloride?
The canonical SMILES for (4-methoxycarbonylcuban-1-yl)azanium chloride is COC(=O)C12C3C4C1C1C2C3C41[NH3+].[Cl-].
What is the InChIKey of (4-methoxycarbonylcuban-1-yl)azanium chloride?
The InChIKey is AMZGEDRFHBTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-13-8(12)9-2-5-3(9)7-4(9)6(2)10(5,7)11;/h2-7H,11H2,1H3;1H.
What are the key properties of (4-methoxycarbonylcuban-1-yl)azanium chloride?
(4-methoxycarbonylcuban-1-yl)azanium chloride has a molecular weight of 213.66 g/mol, XLogP of -4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylcuban-1-yl)azanium chloride is sourced from PubChem (CID 166451916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).