2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate

C12H19NO4 — CID 142512774

IUPAC2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)N/C(C)=C\C
InChIInChI=1S/C12H19NO4/c1-6-9(4)13-12(15)17-10(5)7-16-11(14)8(2)3/h6,10H,2,7H2,1,3-5H3,(H,13,15)/b9-6-
InChIKeyASMVNLRBLPNAFR-TWGQIWQCSA-N
MW241.29 g/mol
LogP2.14
Rot. Bonds5

About 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate

2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate (PubChem CID 142512774) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate
PubChem CID142512774
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(=O)N/C(C)=C\C
InChIInChI=1S/C12H19NO4/c1-6-9(4)13-12(15)17-10(5)7-16-11(14)8(2)3/h6,10H,2,7H2,1,3-5H3,(H,13,15)/b9-6-
InChIKeyASMVNLRBLPNAFR-TWGQIWQCSA-N
XLogP2.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpentan-2-ylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555482
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58975887
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611
2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
CID 154948695
1-(2-methylprop-2-enoyloxy)propan-2-yl 8-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]octanoate
CID 157064123
[1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid
CID 175056951
1-[1-[1-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-bromo-2-methylpropanoate
CID 58040730
2-[[2-(2-methylprop-2-enoyloxy)propoxycarbonylamino]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 54028946
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
2-[[4-[[4-(butan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512779

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate (CID 142512774) is 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)OC(=O)N/C(C)=C\C.
What is the InChIKey of 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate?
The InChIKey is ASMVNLRBLPNAFR-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H19NO4/c1-6-9(4)13-12(15)17-10(5)7-16-11(14)8(2)3/h6,10H,2,7H2,1,3-5H3,(H,13,15)/b9-6-.
What are the key properties of 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate?
2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 142512774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).