(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine

C14H19NO — CID 66518877

IUPAC(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
SMILESCc1cc2c(c([C@@H]3CCCN3)c1)OCCC2
InChIInChI=1S/C14H19NO/c1-10-8-11-4-3-7-16-14(11)12(9-10)13-5-2-6-15-13/h8-9,13,15H,2-7H2,1H3/t13-/m0/s1
InChIKeyMAWMGWIIXVLXOH-ZDUSSCGKSA-N
MW217.31 g/mol
LogP2.74
Rot. Bonds1

About (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine

(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine (PubChem CID 66518877) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
PubChem CID66518877
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
SMILESCc1cc2c(c([C@@H]3CCCN3)c1)OCCC2
InChIInChI=1S/C14H19NO/c1-10-8-11-4-3-7-16-14(11)12(9-10)13-5-2-6-15-13/h8-9,13,15H,2-7H2,1H3/t13-/m0/s1
InChIKeyMAWMGWIIXVLXOH-ZDUSSCGKSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519589
(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 66519243
(2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66518876
2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117338806
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519309
(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-pyrrolidin-2-ylmethanol
CID 82246205
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117480070
(8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol
CID 82244497
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519325
8-iodo-6-methyl-3,4-dihydro-2H-chromene
CID 59113741
2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methyl]pyrrolidine
CID 82244186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine?
The IUPAC name of (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine (CID 66518877) is (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine is Cc1cc2c(c([C@@H]3CCCN3)c1)OCCC2.
What is the InChIKey of (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine?
The InChIKey is MAWMGWIIXVLXOH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-8-11-4-3-7-16-14(11)12(9-10)13-5-2-6-15-13/h8-9,13,15H,2-7H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine?
(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine is sourced from PubChem (CID 66518877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).