methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride

C8H14ClNO2 — CID 175398230

IUPACmethyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride
SMILESC=C1CC(C(=O)OC)N(C)C1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-6-4-7(8(10)11-3)9(2)5-6;/h7H,1,4-5H2,2-3H3;1H
InChIKeyMPCUWYPNIYDLQW-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.84
Rot. Bonds1

About methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride

methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride (PubChem CID 175398230) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride
PubChem CID175398230
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namemethyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride
SMILESC=C1CC(C(=O)OC)N(C)C1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-6-4-7(8(10)11-3)9(2)5-6;/h7H,1,4-5H2,2-3H3;1H
InChIKeyMPCUWYPNIYDLQW-UHFFFAOYSA-N
XLogP0.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.84
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

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CID 91129001
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CID 91526196
methyl 1-methyl-5-oxopiperidine-2-carboxylate
CID 131405839
methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride
CID 154810975
methyl (2S,3S)-3-(2-hydroxypropan-2-yl)-1-methyl-4-oxopyrrolidine-2-carboxylate;methyl (2S)-1-methyl-4-oxopyrrolidine-2-carboxylate
CID 158628247
cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
CID 45262154
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
ditert-butyl 4-methylidenepyrrolidine-1,2-dicarboxylate
CID 18967904
methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 565539
methyl 3-methyl-1,3-oxazolidine-4-carboxylate
CID 10701946
dimethyl (2S,4S)-1-methylpyrrolidine-2,4-dicarboxylate
CID 58854681
methyl (2S)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-methylidenepyrrolidine-2-carboxylate
CID 170296825

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride (CID 175398230) is methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride is C=C1CC(C(=O)OC)N(C)C1.Cl.
What is the InChIKey of methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is MPCUWYPNIYDLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-6-4-7(8(10)11-3)9(2)5-6;/h7H,1,4-5H2,2-3H3;1H.
What are the key properties of methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride?
methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 175398230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).