methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate

C7H11NO2 — CID 123973657

IUPACmethyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCOC(=O)C1CC(C)C=N1
InChIInChI=1S/C7H11NO2/c1-5-3-6(8-4-5)7(9)10-2/h4-6H,3H2,1-2H3
InChIKeyKZPQLDKVWPVVEC-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.64
Rot. Bonds1

About methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate

methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate (PubChem CID 123973657) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
PubChem CID123973657
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCOC(=O)C1CC(C)C=N1
InChIInChI=1S/C7H11NO2/c1-5-3-6(8-4-5)7(9)10-2/h4-6H,3H2,1-2H3
InChIKeyKZPQLDKVWPVVEC-UHFFFAOYSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2,4-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate
CID 44444343
3-Methyl-pyrroline-5-carboxylate
CID 91819834
ethyl (2S,4S)-2,4-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate
CID 44424863
ethyl (2S,4R)-2,4-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate
CID 44424864
ethyl (2R,4S)-2,4-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate
CID 44444310
methyl (2S)-4-methyl-2-(2,2,2-trifluoroethylideneamino)pentanoate
CID 122203369
2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-, methyl ester
CID 14102690
3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 67446336
5-(Ethoxycarbonyl)-5-methyl-1-pyrroline
CID 89544036
Ethyl 3-(propan-2-yl)-2H-azirene-2-carboxylate
CID 13014310
(2S,4R)-4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 91819835
Methyl 2-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate
CID 11744877

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate (CID 123973657) is methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate is COC(=O)C1CC(C)C=N1.
What is the InChIKey of methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The InChIKey is KZPQLDKVWPVVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-6(8-4-5)7(9)10-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 123973657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).