N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide

C17H24N2O2 — CID 4048001

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)NCC1OCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c20-17(7-11-19-9-3-4-10-19)18-13-16-15-6-2-1-5-14(15)8-12-21-16/h1-2,5-6,16H,3-4,7-13H2,(H,18,20)
InChIKeyDHEYIFFLMGXFGD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.90
Rot. Bonds5

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 4048001) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID4048001
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)NCC1OCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c20-17(7-11-19-9-3-4-10-19)18-13-16-15-6-2-1-5-14(15)8-12-21-16/h1-2,5-6,16H,3-4,7-13H2,(H,18,20)
InChIKeyDHEYIFFLMGXFGD-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide (CID 4048001) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is DHEYIFFLMGXFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(7-11-19-9-3-4-10-19)18-13-16-15-6-2-1-5-14(15)8-12-21-16/h1-2,5-6,16H,3-4,7-13H2,(H,18,20).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 4048001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).