3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine

C14H19NO — CID 84785512

IUPAC3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine
SMILESc1cc2c(cc1CC1CCNC1)CCOC2
InChIInChI=1S/C14H19NO/c1-2-14-10-16-6-4-13(14)8-11(1)7-12-3-5-15-9-12/h1-2,8,12,15H,3-7,9-10H2
InChIKeyGXJVSHHIUNWDHZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.91
Rot. Bonds2

About 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine

3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine (PubChem CID 84785512) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine
PubChem CID84785512
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine
SMILESc1cc2c(cc1CC1CCNC1)CCOC2
InChIInChI=1S/C14H19NO/c1-2-14-10-16-6-4-13(14)8-11(1)7-12-3-5-15-9-12/h1-2,8,12,15H,3-7,9-10H2
InChIKeyGXJVSHHIUNWDHZ-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
6-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 84804080
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
3,4-dihydro-1H-isochromen-6-ylmethanesulfonamide
CID 165470533
8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 117429365
4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol
CID 84786785
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline
CID 84799410

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine?
The IUPAC name of 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine (CID 84785512) is 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine?
The canonical SMILES for 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine is c1cc2c(cc1CC1CCNC1)CCOC2.
What is the InChIKey of 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine?
The InChIKey is GXJVSHHIUNWDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-14-10-16-6-4-13(14)8-11(1)7-12-3-5-15-9-12/h1-2,8,12,15H,3-7,9-10H2.
What are the key properties of 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine?
3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine is sourced from PubChem (CID 84785512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).