[5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate

C20H22N2O4 — CID 3157240

IUPAC[5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate
SMILESO=C(Oc1cccc2c(OC(=O)N3CCCC3)cccc12)N1CCCC1
InChIInChI=1S/C20H22N2O4/c23-19(21-11-1-2-12-21)25-17-9-5-8-16-15(17)7-6-10-18(16)26-20(24)22-13-3-4-14-22/h5-10H,1-4,11-14H2
InChIKeyURRYIFSEKGTJLP-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.03
Rot. Bonds2

About [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate

[5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate (PubChem CID 3157240) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate
PubChem CID3157240
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate
SMILESO=C(Oc1cccc2c(OC(=O)N3CCCC3)cccc12)N1CCCC1
InChIInChI=1S/C20H22N2O4/c23-19(21-11-1-2-12-21)25-17-9-5-8-16-15(17)7-6-10-18(16)26-20(24)22-13-3-4-14-22/h5-10H,1-4,11-14H2
InChIKeyURRYIFSEKGTJLP-UHFFFAOYSA-N
XLogP4.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate?
The IUPAC name of [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate (CID 3157240) is [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate?
The canonical SMILES for [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate is O=C(Oc1cccc2c(OC(=O)N3CCCC3)cccc12)N1CCCC1.
What is the InChIKey of [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate?
The InChIKey is URRYIFSEKGTJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(21-11-1-2-12-21)25-17-9-5-8-16-15(17)7-6-10-18(16)26-20(24)22-13-3-4-14-22/h5-10H,1-4,11-14H2.
What are the key properties of [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate?
[5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyrrolidine-1-carbonyloxy)naphthalen-1-yl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 3157240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).