methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate

C15H17NO4 — CID 78986505

IUPACmethyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc3c(c2)COC3)C1
InChIInChI=1S/C15H17NO4/c1-19-15(18)11-4-5-16(7-11)14(17)10-2-3-12-8-20-9-13(12)6-10/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyGMFKJSRDFBLEKG-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.35
Rot. Bonds2

About methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 78986505) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate
PubChem CID78986505
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc3c(c2)COC3)C1
InChIInChI=1S/C15H17NO4/c1-19-15(18)11-4-5-16(7-11)14(17)10-2-3-12-8-20-9-13(12)6-10/h2-3,6,11H,4-5,7-9H2,1H3
InChIKeyGMFKJSRDFBLEKG-UHFFFAOYSA-N
XLogP1.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
methyl 1-(4-iodobenzoyl)pyrrolidine-3-carboxylate
CID 47340248
1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 62112159
[3-(chloromethyl)pyrrolidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63744725
1-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118428
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
1,3-dihydro-2-benzofuran-5-yl-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55229921
1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579585
methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
methyl 1-(3-amino-4-methylbenzoyl)piperidine-3-carboxylate
CID 110488213
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119624400

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate (CID 78986505) is methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2ccc3c(c2)COC3)C1.
What is the InChIKey of methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is GMFKJSRDFBLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-15(18)11-4-5-16(7-11)14(17)10-2-3-12-8-20-9-13(12)6-10/h2-3,6,11H,4-5,7-9H2,1H3.
What are the key properties of methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78986505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).