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

C6H8NO4- — CID 20502002

IUPACN-(2-prop-2-enoyloxyethyl)carbamate
SMILESC=CC(=O)OCCNC(=O)[O-]
InChIInChI=1S/C6H9NO4/c1-2-5(8)11-4-3-7-6(9)10/h2,7H,1,3-4H2,(H,9,10)/p-1
InChIKeyIQOVCMFMHSXLQO-UHFFFAOYSA-M
MW158.13 g/mol
LogP-1.35
Rot. Bonds4

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

N-(2-prop-2-enoyloxyethyl)carbamate (PubChem CID 20502002) has the molecular formula C6H8NO4- and a molecular weight of 158.13 g/mol. Its IUPAC name is N-(2-prop-2-enoyloxyethyl)carbamate.

Molecular Properties

Compound NameN-(2-prop-2-enoyloxyethyl)carbamate
PubChem CID20502002
Molecular FormulaC6H8NO4-
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC NameN-(2-prop-2-enoyloxyethyl)carbamate
SMILESC=CC(=O)OCCNC(=O)[O-]
InChIInChI=1S/C6H9NO4/c1-2-5(8)11-4-3-7-6(9)10/h2,7H,1,3-4H2,(H,9,10)/p-1
InChIKeyIQOVCMFMHSXLQO-UHFFFAOYSA-M
XLogP-1.35
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-1.35
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

lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
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
3-prop-2-enoyloxypropanoate;zirconium(4+)
CID 172701120

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enoyloxyethyl)carbamate?
The IUPAC name of N-(2-prop-2-enoyloxyethyl)carbamate (CID 20502002) is N-(2-prop-2-enoyloxyethyl)carbamate.
What is the SMILES notation for N-(2-prop-2-enoyloxyethyl)carbamate?
The canonical SMILES for N-(2-prop-2-enoyloxyethyl)carbamate is C=CC(=O)OCCNC(=O)[O-].
What is the InChIKey of N-(2-prop-2-enoyloxyethyl)carbamate?
The InChIKey is IQOVCMFMHSXLQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO4/c1-2-5(8)11-4-3-7-6(9)10/h2,7H,1,3-4H2,(H,9,10)/p-1.
What are the key properties of N-(2-prop-2-enoyloxyethyl)carbamate?
N-(2-prop-2-enoyloxyethyl)carbamate has a molecular weight of 158.13 g/mol, XLogP of -1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enoyloxyethyl)carbamate is sourced from PubChem (CID 20502002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).