1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate

C13H19NO2 — CID 87118360

IUPAC1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate
SMILESC=CCN(CC=C)C(C=C)OC(=O)C(=C)C
InChIInChI=1S/C13H19NO2/c1-6-9-14(10-7-2)12(8-3)16-13(15)11(4)5/h6-8,12H,1-4,9-10H2,5H3
InChIKeyCCIXCZVGRBGYCU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds8

About 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate

1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate (PubChem CID 87118360) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate
PubChem CID87118360
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate
SMILESC=CCN(CC=C)C(C=C)OC(=O)C(=C)C
InChIInChI=1S/C13H19NO2/c1-6-9-14(10-7-2)12(8-3)16-13(15)11(4)5/h6-8,12H,1-4,9-10H2,5H3
InChIKeyCCIXCZVGRBGYCU-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enoyloxy)but-3-enylphosphonic acid
CID 174524119
1-(prop-2-enylamino)prop-2-enyl 2-methylprop-2-enoate
CID 87097761
1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate
CID 87514623
N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
CID 87118442
[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]hexa-1,5-dien-3-yl] 2-methylprop-2-enoate
CID 25110944
trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
CID 87588648
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284
1-(ethenylamino)ethyl 2-methylprop-2-enoate
CID 87899404
propan-2-yl 2-methylprop-2-enoate
CID 146421311
hepta-1,5-dien-4-yl 2-methylprop-2-enoate
CID 54100239
but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate
CID 87377367

Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate (CID 87118360) is 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate is C=CCN(CC=C)C(C=C)OC(=O)C(=C)C.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is CCIXCZVGRBGYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-6-9-14(10-7-2)12(8-3)16-13(15)11(4)5/h6-8,12H,1-4,9-10H2,5H3.
What are the key properties of 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate?
1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 221.30 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 87118360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).