(2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine

C14H19NO — CID 66518876

IUPAC(2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
SMILESCc1cc2c(cc1[C@H]1CCCN1)CCCO2
InChIInChI=1S/C14H19NO/c1-10-8-14-11(4-3-7-16-14)9-12(10)13-5-2-6-15-13/h8-9,13,15H,2-7H2,1H3/t13-/m1/s1
InChIKeyWMELWQCCTLLBGD-CYBMUJFWSA-N
MW217.31 g/mol
LogP2.74
Rot. Bonds1

About (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine

(2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine (PubChem CID 66518876) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
PubChem CID66518876
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
SMILESCc1cc2c(cc1[C@H]1CCCN1)CCCO2
InChIInChI=1S/C14H19NO/c1-10-8-14-11(4-3-7-16-14)9-12(10)13-5-2-6-15-13/h8-9,13,15H,2-7H2,1H3/t13-/m1/s1
InChIKeyWMELWQCCTLLBGD-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
The IUPAC name of (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine (CID 66518876) is (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine.
What is the SMILES notation for (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
The canonical SMILES for (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine is Cc1cc2c(cc1[C@H]1CCCN1)CCCO2.
What is the InChIKey of (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
The InChIKey is WMELWQCCTLLBGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-8-14-11(4-3-7-16-14)9-12(10)13-5-2-6-15-13/h8-9,13,15H,2-7H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
(2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-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 (2R)-2-(7-methyl-3,4-dihydro-2H-chromen-6-yl)pyrrolidine is sourced from PubChem (CID 66518876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).