3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine

C14H19NO — CID 84785514

IUPAC3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
SMILESc1cc2c(c(CC3CCNC3)c1)COCC2
InChIInChI=1S/C14H19NO/c1-2-12-5-7-16-10-14(12)13(3-1)8-11-4-6-15-9-11/h1-3,11,15H,4-10H2
InChIKeyKCLCDKCTTPKGNF-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.91
Rot. Bonds2

About 3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine

3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine (PubChem CID 84785514) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
PubChem CID84785514
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
SMILESc1cc2c(c(CC3CCNC3)c1)COCC2
InChIInChI=1S/C14H19NO/c1-2-12-5-7-16-10-14(12)13(3-1)8-11-4-6-15-9-11/h1-3,11,15H,4-10H2
InChIKeyKCLCDKCTTPKGNF-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

3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine
CID 84785512
3,4-dihydro-1H-isochromen-8-ylmethanamine
CID 82596475
3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
CID 84796479
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 84793933
4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 83849391
3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine
CID 84796476
2-(pyrrolidin-3-ylmethyl)benzonitrile;hydrochloride
CID 45074463
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 84793759
2-(pyrrolidin-3-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine
CID 105494773
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine?
The IUPAC name of 3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine (CID 84785514) is 3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine?
The canonical SMILES for 3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine is c1cc2c(c(CC3CCNC3)c1)COCC2.
What is the InChIKey of 3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine?
The InChIKey is KCLCDKCTTPKGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-12-5-7-16-10-14(12)13(3-1)8-11-4-6-15-9-11/h1-3,11,15H,4-10H2.
What are the key properties of 3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine?
3-(3,4-dihydro-1H-isochromen-8-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-8-ylmethyl)pyrrolidine is sourced from PubChem (CID 84785514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).