dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate

C15H21NO4 — CID 11471484

IUPACdimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate
SMILESC=CC/C(C(=O)OC)=C(/C(=O)OC)N(CC=C)CC=C
InChIInChI=1S/C15H21NO4/c1-6-9-12(14(17)19-4)13(15(18)20-5)16(10-7-2)11-8-3/h6-8H,1-3,9-11H2,4-5H3/b13-12+
InChIKeyIKZLUSRVDPBNLP-OUKQBFOZSA-N
MW279.34 g/mol
LogP1.84
Rot. Bonds9

About dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate

dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate (PubChem CID 11471484) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate
PubChem CID11471484
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namedimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate
SMILESC=CC/C(C(=O)OC)=C(/C(=O)OC)N(CC=C)CC=C
InChIInChI=1S/C15H21NO4/c1-6-9-12(14(17)19-4)13(15(18)20-5)16(10-7-2)11-8-3/h6-8H,1-3,9-11H2,4-5H3/b13-12+
InChIKeyIKZLUSRVDPBNLP-OUKQBFOZSA-N
XLogP1.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(1-aminoethylidene)pent-4-enoate
CID 173444359
methyl 3-methyl-5-prop-2-enoxy-2-prop-2-enylpent-2-enoate
CID 174791611
methyl bis(prop-2-enyl)carbamothioylsulfanylformate
CID 15611714
methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954660
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567559
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
methyl 2-prop-2-enylhex-2-enoate
CID 174771854
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941

Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate?
The IUPAC name of dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate (CID 11471484) is dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate?
The canonical SMILES for dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate is C=CC/C(C(=O)OC)=C(/C(=O)OC)N(CC=C)CC=C.
What is the InChIKey of dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate?
The InChIKey is IKZLUSRVDPBNLP-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H21NO4/c1-6-9-12(14(17)19-4)13(15(18)20-5)16(10-7-2)11-8-3/h6-8H,1-3,9-11H2,4-5H3/b13-12+.
What are the key properties of dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate?
dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate has a molecular weight of 279.34 g/mol, XLogP of 1.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-[bis(prop-2-enyl)amino]-3-prop-2-enylbut-2-enedioate is sourced from PubChem (CID 11471484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).