(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium

C7H13N2O2+ — CID 163902878

IUPAC(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium
SMILESCC12CC(NC([NH3+])=O)(CO1)C2
InChIInChI=1S/C7H12N2O2/c1-6-2-7(3-6,4-11-6)9-5(8)10/h2-4H2,1H3,(H3,8,9,10)/p+1
InChIKeyQLJYROGVMRGAOS-UHFFFAOYSA-O
MW157.19 g/mol
LogP-0.74
Rot. Bonds1

About (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium

(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium (PubChem CID 163902878) has the molecular formula C7H13N2O2+ and a molecular weight of 157.19 g/mol. Its IUPAC name is (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium.

Molecular Properties

Compound Name(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium
PubChem CID163902878
Molecular FormulaC7H13N2O2+
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium
SMILESCC12CC(NC([NH3+])=O)(CO1)C2
InChIInChI=1S/C7H12N2O2/c1-6-2-7(3-6,4-11-6)9-5(8)10/h2-4H2,1H3,(H3,8,9,10)/p+1
InChIKeyQLJYROGVMRGAOS-UHFFFAOYSA-O
XLogP-0.74
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide
CID 178163746
N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine
CID 152983655
2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)acetamide
CID 166147638
2-methoxy-N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 178013273
N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
CID 167084426
2-chloro-1-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)ethanone
CID 154655879
methanol;1-methyl-2-oxabicyclo[2.1.1]hexane-4-carbaldehyde
CID 163277889
[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid
CID 174223727
N-(4-methyl-1-bicyclo[2.2.1]heptanyl)acetamide
CID 118411518
sodium 1-methyl-2-oxabicyclo[2.2.1]heptane-4-carboxylate
CID 146050196
N,2-dimethyloxirane-2-carboxamide
CID 171036085
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium?
The IUPAC name of (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium (CID 163902878) is (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium.
What is the SMILES notation for (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium?
The canonical SMILES for (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium is CC12CC(NC([NH3+])=O)(CO1)C2.
What is the InChIKey of (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium?
The InChIKey is QLJYROGVMRGAOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N2O2/c1-6-2-7(3-6,4-11-6)9-5(8)10/h2-4H2,1H3,(H3,8,9,10)/p+1.
What are the key properties of (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium?
(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium has a molecular weight of 157.19 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium is sourced from PubChem (CID 163902878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).