methyl 4-methylidenepiperidine-2-carboxylate

C8H13NO2 — CID 45082152

IUPACmethyl 4-methylidenepiperidine-2-carboxylate
SMILESC=C1CCNC(C(=O)OC)C1
InChIInChI=1S/C8H13NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h7,9H,1,3-5H2,2H3
InChIKeyYTNFPIMPMOZPDH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds1

About methyl 4-methylidenepiperidine-2-carboxylate

methyl 4-methylidenepiperidine-2-carboxylate (PubChem CID 45082152) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 4-methylidenepiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methylidenepiperidine-2-carboxylate
PubChem CID45082152
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 4-methylidenepiperidine-2-carboxylate
SMILESC=C1CCNC(C(=O)OC)C1
InChIInChI=1S/C8H13NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h7,9H,1,3-5H2,2H3
InChIKeyYTNFPIMPMOZPDH-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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carbonic acid;methyl 3-methylidenecyclopentane-1-carboxylate
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CID 75088783
methyl (2S)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 45082153
methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride
CID 67791330
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CID 144894204
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CID 86340649
methyl 1,4-diazepane-2-carboxylate
CID 45358161
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 574666
methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 86767726
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
methyl 4-cyclopropylpiperidine-2-carboxylate
CID 117258400

Frequently Asked Questions

What is the IUPAC name of methyl 4-methylidenepiperidine-2-carboxylate?
The IUPAC name of methyl 4-methylidenepiperidine-2-carboxylate (CID 45082152) is methyl 4-methylidenepiperidine-2-carboxylate.
What is the SMILES notation for methyl 4-methylidenepiperidine-2-carboxylate?
The canonical SMILES for methyl 4-methylidenepiperidine-2-carboxylate is C=C1CCNC(C(=O)OC)C1.
What is the InChIKey of methyl 4-methylidenepiperidine-2-carboxylate?
The InChIKey is YTNFPIMPMOZPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h7,9H,1,3-5H2,2H3.
What are the key properties of methyl 4-methylidenepiperidine-2-carboxylate?
methyl 4-methylidenepiperidine-2-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylidenepiperidine-2-carboxylate is sourced from PubChem (CID 45082152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).