2-[bis(prop-2-enyl)amino]ethyl acetate

C10H17NO2 — CID 58105020

IUPAC2-[bis(prop-2-enyl)amino]ethyl acetate
SMILESC=CCN(CC=C)CCOC(C)=O
InChIInChI=1S/C10H17NO2/c1-4-6-11(7-5-2)8-9-13-10(3)12/h4-5H,1-2,6-9H2,3H3
InChIKeyBECMOWMTDRCTIO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]ethyl acetate

2-[bis(prop-2-enyl)amino]ethyl acetate (PubChem CID 58105020) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]ethyl acetate
PubChem CID58105020
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[bis(prop-2-enyl)amino]ethyl acetate
SMILESC=CCN(CC=C)CCOC(C)=O
InChIInChI=1S/C10H17NO2/c1-4-6-11(7-5-2)8-9-13-10(3)12/h4-5H,1-2,6-9H2,3H3
InChIKeyBECMOWMTDRCTIO-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Diethylamino)ethyl acrylate
CID 17050
Allyl-dimethyl-prop-2-ynyloxycarbonylmethyl-ammonium
CID 16682340
N,N-Di-2-propen-1-ylglycine ethyl ester
CID 17541
Dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride
CID 170853127
Ethyl 3-[methyl(prop-2-enyl)amino]propanoate
CID 19426639
N-allylsarcosine ethyl ester
CID 21403446
N,N-dimethyl-N-[2-oxo-2-(prop-2-yn-1-yloxy)ethyl]prop-2-en-1-aminium
CID 1600802
N,N-Diethyl-N-methyl-2-[(1-oxo-2-propen-1-yl)oxy]ethanaminium
CID 89066
Allylamine, bis(2-methoxyethyl)-
CID 581788
methyl 2-[[(E)-but-2-enyl]-methylamino]acetate
CID 11051912
Allyl(dimethyl)-(methoxycarbonylmethyl)ammonium bromide
CID 12130473
Ethyl 3-[bis(prop-2-enyl)amino]propanoate
CID 60649442

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]ethyl acetate?
The IUPAC name of 2-[bis(prop-2-enyl)amino]ethyl acetate (CID 58105020) is 2-[bis(prop-2-enyl)amino]ethyl acetate.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]ethyl acetate?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]ethyl acetate is C=CCN(CC=C)CCOC(C)=O.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]ethyl acetate?
The InChIKey is BECMOWMTDRCTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-6-11(7-5-2)8-9-13-10(3)12/h4-5H,1-2,6-9H2,3H3.
What are the key properties of 2-[bis(prop-2-enyl)amino]ethyl acetate?
2-[bis(prop-2-enyl)amino]ethyl acetate has a molecular weight of 183.25 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]ethyl acetate is sourced from PubChem (CID 58105020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).