methyl 2,3-dihydropyrrole-1-carboxylate

C6H9NO2 — CID 2751384

IUPACmethyl 2,3-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1C=CCC1
InChIInChI=1S/C6H9NO2/c1-9-6(8)7-4-2-3-5-7/h2,4H,3,5H2,1H3
InChIKeySWCRVYZJNHPQPS-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.97
Rot. Bonds

About methyl 2,3-dihydropyrrole-1-carboxylate

methyl 2,3-dihydropyrrole-1-carboxylate (PubChem CID 2751384) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is methyl 2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dihydropyrrole-1-carboxylate
PubChem CID2751384
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Namemethyl 2,3-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1C=CCC1
InChIInChI=1S/C6H9NO2/c1-9-6(8)7-4-2-3-5-7/h2,4H,3,5H2,1H3
InChIKeySWCRVYZJNHPQPS-UHFFFAOYSA-N
XLogP0.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2,3-dihydropyrrole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl 2,3-dihydropyrrole-1-carboxylate (CID 2751384) is methyl 2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl 2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl 2,3-dihydropyrrole-1-carboxylate is COC(=O)N1C=CCC1.
What is the InChIKey of methyl 2,3-dihydropyrrole-1-carboxylate?
The InChIKey is SWCRVYZJNHPQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-9-6(8)7-4-2-3-5-7/h2,4H,3,5H2,1H3.
What are the key properties of methyl 2,3-dihydropyrrole-1-carboxylate?
methyl 2,3-dihydropyrrole-1-carboxylate has a molecular weight of 127.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 2751384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).