3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine

C17H23NO2 — CID 115010129

IUPAC3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine
SMILESCc1c2c(c(C3CCNC3)c3c1OCCC3)OCCC2
InChIInChI=1S/C17H23NO2/c1-11-13-4-2-9-20-17(13)15(12-6-7-18-10-12)14-5-3-8-19-16(11)14/h12,18H,2-10H2,1H3
InChIKeyXHUADYVCKLRUKR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.72
Rot. Bonds1

About 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine

3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine (PubChem CID 115010129) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine.

Molecular Properties

Compound Name3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine
PubChem CID115010129
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine
SMILESCc1c2c(c(C3CCNC3)c3c1OCCC3)OCCC2
InChIInChI=1S/C17H23NO2/c1-11-13-4-2-9-20-17(13)15(12-6-7-18-10-12)14-5-3-8-19-16(11)14/h12,18H,2-10H2,1H3
InChIKeyXHUADYVCKLRUKR-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine
CID 115010130
3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine
CID 117385756
3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 117322941
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 84696872
5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine
CID 86718004
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 84684759
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
3-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117476785
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
CID 117116664
3-(5-methylfuran-2-yl)pyrrolidine
CID 62066693
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859

Frequently Asked Questions

What is the IUPAC name of 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine?
The IUPAC name of 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine (CID 115010129) is 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine.
What is the SMILES notation for 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine?
The canonical SMILES for 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine is Cc1c2c(c(C3CCNC3)c3c1OCCC3)OCCC2.
What is the InChIKey of 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine?
The InChIKey is XHUADYVCKLRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-13-4-2-9-20-17(13)15(12-6-7-18-10-12)14-5-3-8-19-16(11)14/h12,18H,2-10H2,1H3.
What are the key properties of 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine?
3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine has a molecular weight of 273.38 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine is sourced from PubChem (CID 115010129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).