2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate

C12H16N2O2 — CID 150307302

IUPAC2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccncc1N(C)C
InChIInChI=1S/C12H16N2O2/c1-4-12(15)16-8-6-10-5-7-13-9-11(10)14(2)3/h4-5,7,9H,1,6,8H2,2-3H3
InChIKeyGKWFBUVDPWRQIC-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.42
Rot. Bonds5

About 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate

2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate (PubChem CID 150307302) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate
PubChem CID150307302
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccncc1N(C)C
InChIInChI=1S/C12H16N2O2/c1-4-12(15)16-8-6-10-5-7-13-9-11(10)14(2)3/h4-5,7,9H,1,6,8H2,2-3H3
InChIKeyGKWFBUVDPWRQIC-UHFFFAOYSA-N
XLogP1.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 87166362
1-[4-(dimethylamino)-3-pyridinyl]prop-2-en-1-one
CID 175080567
5-pyridin-4-ylpentyl prop-2-enoate
CID 122214790
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
methyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 141252763
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide
CID 173064353
4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
2-(2-propan-2-ylphenyl)ethyl prop-2-enoate
CID 91061746
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate?
The IUPAC name of 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate (CID 150307302) is 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccncc1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate?
The InChIKey is GKWFBUVDPWRQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-12(15)16-8-6-10-5-7-13-9-11(10)14(2)3/h4-5,7,9H,1,6,8H2,2-3H3.
What are the key properties of 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate?
2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-pyridinyl]ethyl prop-2-enoate is sourced from PubChem (CID 150307302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).