2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium

C8H17N2O2+ — CID 535562

IUPAC2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCOC(N)=O
InChIInChI=1S/C8H16N2O2/c1-4-5-10(2,3)6-7-12-8(9)11/h4H,1,5-7H2,2-3H3,(H-,9,11)/p+1
InChIKeyIAVUICRYMOQRIA-UHFFFAOYSA-O
MW173.24 g/mol
LogP0.34
Rot. Bonds5

About 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium

2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium (PubChem CID 535562) has the molecular formula C8H17N2O2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Name2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium
PubChem CID535562
Molecular FormulaC8H17N2O2+
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Name2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCOC(N)=O
InChIInChI=1S/C8H16N2O2/c1-4-5-10(2,3)6-7-12-8(9)11/h4H,1,5-7H2,2-3H3,(H-,9,11)/p+1
InChIKeyIAVUICRYMOQRIA-UHFFFAOYSA-O
XLogP0.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium?
The IUPAC name of 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium (CID 535562) is 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium.
What is the SMILES notation for 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium?
The canonical SMILES for 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)CCOC(N)=O.
What is the InChIKey of 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium?
The InChIKey is IAVUICRYMOQRIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2O2/c1-4-5-10(2,3)6-7-12-8(9)11/h4H,1,5-7H2,2-3H3,(H-,9,11)/p+1.
What are the key properties of 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium?
2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium has a molecular weight of 173.24 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyloxyethyl-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 535562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).