tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate

C13H21NO2 — CID 11276123

IUPACtert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate
SMILESC=C/C=C1\CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO2/c1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4/h5,8H,1,6-7,9-10H2,2-4H3/b11-8+
InChIKeyMUVDZAZREUHYMP-DHZHZOJOSA-N
MW223.32 g/mol
LogP3.48
Rot. Bonds1

About tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate

tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate (PubChem CID 11276123) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate
PubChem CID11276123
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nametert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate
SMILESC=C/C=C1\CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO2/c1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4/h5,8H,1,6-7,9-10H2,2-4H3/b11-8+
InChIKeyMUVDZAZREUHYMP-DHZHZOJOSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 15202059
N-Boc-2-(cis-1-Propenyl)Piperidine
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N-boc-tetrahydroquinoline
CID 140630497
tert-butyl 4-[(Z)-prop-1-enyl]piperidine-1-carboxylate
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Tert-butyl 4-(1-fluoroprop-2-enylidene)piperidine-1-carboxylate
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tert-butyl (4Z)-4-(3-fluorobutylidene)-3-methylidenepiperidine-1-carboxylate
CID 163787093
tert-butyl (7Z)-8-ethenyl-3,4,5,6-tetrahydro-2H-azocine-1-carboxylate
CID 11042768
Tert-butyl 7-ethenyl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 11333557
tert-butyl 4-[(1E)-buta-1,3-dienyl]piperidine-1-carboxylate
CID 11955054
Tert-butyl 7-(2-methylpropyl)-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 25171131
tert-butyl (6Z)-1-azacycloundec-6-ene-1-carboxylate
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tert-butyl (2E)-2-butylidenepiperidine-1-carboxylate
CID 122392020

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate (CID 11276123) is tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate is C=C/C=C1\CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate?
The InChIKey is MUVDZAZREUHYMP-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4/h5,8H,1,6-7,9-10H2,2-4H3/b11-8+.
What are the key properties of tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate?
tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate has a molecular weight of 223.32 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E)-2-prop-2-enylidenepiperidine-1-carboxylate is sourced from PubChem (CID 11276123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).