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

C16H20ClNO2 — CID 115010130

IUPAC3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine
SMILESClc1c2c(c(C3CCNC3)c3c1OCCC3)OCCC2
InChIInChI=1S/C16H20ClNO2/c17-14-12-4-2-7-19-15(12)13(10-5-6-18-9-10)11-3-1-8-20-16(11)14/h10,18H,1-9H2
InChIKeyYWOOLYVMDVDVOQ-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.07
Rot. Bonds1

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

3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine (PubChem CID 115010130) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine.

Molecular Properties

Compound Name3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine
PubChem CID115010130
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine
SMILESClc1c2c(c(C3CCNC3)c3c1OCCC3)OCCC2
InChIInChI=1S/C16H20ClNO2/c17-14-12-4-2-7-19-15(12)13(10-5-6-18-9-10)11-3-1-8-20-16(11)14/h10,18H,1-9H2
InChIKeyYWOOLYVMDVDVOQ-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine with MolForge

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Related Compounds

3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine
CID 115010129
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-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117476785
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117423076
8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117456067
3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 82602979
3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117423040
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 84696872
3-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]pyrrolidine
CID 117463459
5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine
CID 86718004

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine?
The IUPAC name of 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine (CID 115010130) is 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine.
What is the SMILES notation for 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine?
The canonical SMILES for 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine is Clc1c2c(c(C3CCNC3)c3c1OCCC3)OCCC2.
What is the InChIKey of 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine?
The InChIKey is YWOOLYVMDVDVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-14-12-4-2-7-19-15(12)13(10-5-6-18-9-10)11-3-1-8-20-16(11)14/h10,18H,1-9H2.
What are the key properties of 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine?
3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine has a molecular weight of 293.79 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine is sourced from PubChem (CID 115010130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).