methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate

C10H17NO2 — CID 117266160

IUPACmethyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C\C1CCCN(C)C1
InChIInChI=1S/C10H17NO2/c1-11-7-3-4-9(8-11)5-6-10(12)13-2/h5-6,9H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyIMLLIIRZEFAKDX-WAYWQWQTSA-N
MW183.25 g/mol
LogP1.06
Rot. Bonds2

About methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate

methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate (PubChem CID 117266160) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate
PubChem CID117266160
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C\C1CCCN(C)C1
InChIInChI=1S/C10H17NO2/c1-11-7-3-4-9(8-11)5-6-10(12)13-2/h5-6,9H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyIMLLIIRZEFAKDX-WAYWQWQTSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
(2Z,4E)-5-(1-methylpiperidin-3-yl)penta-2,4-dienoic acid
CID 115020259
(Z)-4-(1-methylpiperidin-3-yl)but-3-enoic acid
CID 117267539
(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid
CID 117266106
methyl (E)-3-[(1-methylpyrrolidin-3-yl)methylamino]prop-2-enoate
CID 103239678
methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate
CID 117266148
(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine
CID 117267511
methyl (Z)-3-(3-oxocyclopentyl)prop-2-enoate
CID 131243033
methyl (E)-3-(4-tert-butylcyclohexyl)prop-2-enoate
CID 104575626
methyl 3-(3-oxocyclopentyl)prop-2-enoate
CID 85320730
tert-butyl (2S)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 11118647
3-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclobutane-1-carboxylic acid
CID 23208884

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate (CID 117266160) is methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate is COC(=O)/C=C\C1CCCN(C)C1.
What is the InChIKey of methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate?
The InChIKey is IMLLIIRZEFAKDX-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-7-3-4-9(8-11)5-6-10(12)13-2/h5-6,9H,3-4,7-8H2,1-2H3/b6-5-.
What are the key properties of methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate?
methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(1-methylpiperidin-3-yl)prop-2-enoate is sourced from PubChem (CID 117266160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).