[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate

C20H23NO4 — CID 71907517

IUPAC[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate
SMILESO=C(OCC1CCCN1Cc1ccco1)C1COc2ccccc2C1
InChIInChI=1S/C20H23NO4/c22-20(16-11-15-5-1-2-8-19(15)24-13-16)25-14-17-6-3-9-21(17)12-18-7-4-10-23-18/h1-2,4-5,7-8,10,16-17H,3,6,9,11-14H2
InChIKeySGHDVKDOVOMEAI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.04
Rot. Bonds5

About [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate

[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate (PubChem CID 71907517) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate
PubChem CID71907517
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate
SMILESO=C(OCC1CCCN1Cc1ccco1)C1COc2ccccc2C1
InChIInChI=1S/C20H23NO4/c22-20(16-11-15-5-1-2-8-19(15)24-13-16)25-14-17-6-3-9-21(17)12-18-7-4-10-23-18/h1-2,4-5,7-8,10,16-17H,3,6,9,11-14H2
InChIKeySGHDVKDOVOMEAI-UHFFFAOYSA-N
XLogP3.04
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 55429666
[4-(furan-2-ylmethyl)piperazin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97284491
3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421216
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylate
CID 146087234
[2-(3-chloropropyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 63591261
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
1-(3,4-dihydro-2H-chromene-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036029
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381650
(2-cyanophenyl)methyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 42920781
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate?
The IUPAC name of [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate (CID 71907517) is [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate is O=C(OCC1CCCN1Cc1ccco1)C1COc2ccccc2C1.
What is the InChIKey of [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate?
The InChIKey is SGHDVKDOVOMEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-20(16-11-15-5-1-2-8-19(15)24-13-16)25-14-17-6-3-9-21(17)12-18-7-4-10-23-18/h1-2,4-5,7-8,10,16-17H,3,6,9,11-14H2.
What are the key properties of [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate?
[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate is sourced from PubChem (CID 71907517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).