lithium N-(2-prop-2-enoyloxyethyl)carbamate

C6H8LiNO4 — CID 140879488

IUPAClithium N-(2-prop-2-enoyloxyethyl)carbamate
SMILESC=CC(=O)OCCNC(=O)[O-].[Li+]
InChIInChI=1S/C6H9NO4.Li/c1-2-5(8)11-4-3-7-6(9)10;/h2,7H,1,3-4H2,(H,9,10);/q;+1/p-1
InChIKeyONVUFQHPSVYSMR-UHFFFAOYSA-M
MW165.07 g/mol
LogP-4.35
Rot. Bonds4

About lithium N-(2-prop-2-enoyloxyethyl)carbamate

lithium N-(2-prop-2-enoyloxyethyl)carbamate (PubChem CID 140879488) has the molecular formula C6H8LiNO4 and a molecular weight of 165.07 g/mol. Its IUPAC name is lithium N-(2-prop-2-enoyloxyethyl)carbamate.

Molecular Properties

Compound Namelithium N-(2-prop-2-enoyloxyethyl)carbamate
PubChem CID140879488
Molecular FormulaC6H8LiNO4
Molecular Weight165.07 g/mol
Exact Mass165.06
IUPAC Namelithium N-(2-prop-2-enoyloxyethyl)carbamate
SMILESC=CC(=O)OCCNC(=O)[O-].[Li+]
InChIInChI=1S/C6H9NO4.Li/c1-2-5(8)11-4-3-7-6(9)10;/h2,7H,1,3-4H2,(H,9,10);/q;+1/p-1
InChIKeyONVUFQHPSVYSMR-UHFFFAOYSA-M
XLogP-4.35
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.07
LogP ≤ 5-4.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate
CID 138533893
2-formamidoethyl prop-2-enoate
CID 18401312
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
(2-prop-2-enoyloxyethylamino)methanesulfonic acid
CID 150122074

Frequently Asked Questions

What is the IUPAC name of lithium N-(2-prop-2-enoyloxyethyl)carbamate?
The IUPAC name of lithium N-(2-prop-2-enoyloxyethyl)carbamate (CID 140879488) is lithium N-(2-prop-2-enoyloxyethyl)carbamate.
What is the SMILES notation for lithium N-(2-prop-2-enoyloxyethyl)carbamate?
The canonical SMILES for lithium N-(2-prop-2-enoyloxyethyl)carbamate is C=CC(=O)OCCNC(=O)[O-].[Li+].
What is the InChIKey of lithium N-(2-prop-2-enoyloxyethyl)carbamate?
The InChIKey is ONVUFQHPSVYSMR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO4.Li/c1-2-5(8)11-4-3-7-6(9)10;/h2,7H,1,3-4H2,(H,9,10);/q;+1/p-1.
What are the key properties of lithium N-(2-prop-2-enoyloxyethyl)carbamate?
lithium N-(2-prop-2-enoyloxyethyl)carbamate has a molecular weight of 165.07 g/mol, XLogP of -4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-(2-prop-2-enoyloxyethyl)carbamate is sourced from PubChem (CID 140879488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).