bis(2-methylprop-2-enoylamino) carbonate

C9H12N2O5 — CID 174523368

IUPACbis(2-methylprop-2-enoylamino) carbonate
SMILESC=C(C)C(=O)NOC(=O)ONC(=O)C(=C)C
InChIInChI=1S/C9H12N2O5/c1-5(2)7(12)10-15-9(14)16-11-8(13)6(3)4/h1,3H2,2,4H3,(H,10,12)(H,11,13)
InChIKeyXVGNSRNRFFRSFP-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.35
Rot. Bonds2

About bis(2-methylprop-2-enoylamino) carbonate

bis(2-methylprop-2-enoylamino) carbonate (PubChem CID 174523368) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is bis(2-methylprop-2-enoylamino) carbonate.

Molecular Properties

Compound Namebis(2-methylprop-2-enoylamino) carbonate
PubChem CID174523368
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Namebis(2-methylprop-2-enoylamino) carbonate
SMILESC=C(C)C(=O)NOC(=O)ONC(=O)C(=C)C
InChIInChI=1S/C9H12N2O5/c1-5(2)7(12)10-15-9(14)16-11-8(13)6(3)4/h1,3H2,2,4H3,(H,10,12)(H,11,13)
InChIKeyXVGNSRNRFFRSFP-UHFFFAOYSA-N
XLogP0.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(2-methylprop-2-enoylamino) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylprop-2-enoylamino) 2-methoxyiminoacetate
CID 174478351
N-ethenoxy-2-methylprop-2-enamide
CID 102118163
bis(2-methylprop-2-enoylamino) sulfate
CID 174631095
2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate
CID 10047362
2-methyl-N-(prop-2-enoylamino)oxyprop-2-enamide
CID 143303309
2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
CID 154307260
N,2-dimethylprop-2-enamide;ethane
CID 142291054
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
(2-methylprop-2-enoylamino) 2-butoxyhexanoate
CID 57045226
(2-carbamoylhydrazinyl) 2-methylprop-2-enoate
CID 174983708
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoylamino) carbonate?
The IUPAC name of bis(2-methylprop-2-enoylamino) carbonate (CID 174523368) is bis(2-methylprop-2-enoylamino) carbonate.
What is the SMILES notation for bis(2-methylprop-2-enoylamino) carbonate?
The canonical SMILES for bis(2-methylprop-2-enoylamino) carbonate is C=C(C)C(=O)NOC(=O)ONC(=O)C(=C)C.
What is the InChIKey of bis(2-methylprop-2-enoylamino) carbonate?
The InChIKey is XVGNSRNRFFRSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-5(2)7(12)10-15-9(14)16-11-8(13)6(3)4/h1,3H2,2,4H3,(H,10,12)(H,11,13).
What are the key properties of bis(2-methylprop-2-enoylamino) carbonate?
bis(2-methylprop-2-enoylamino) carbonate has a molecular weight of 228.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoylamino) carbonate is sourced from PubChem (CID 174523368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).