(2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate

C22H20N2O3 — CID 170258692

IUPAC(2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate
SMILESC=C1CCC(=O)N1OC(=O)NC(C)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H20N2O3/c1-14-11-12-20(25)24(14)27-22(26)23-15(2)21-18-9-5-3-7-16(18)13-17-8-4-6-10-19(17)21/h3-10,13,15H,1,11-12H2,2H3,(H,23,26)
InChIKeyHIENKJUOGUAYGN-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.83
Rot. Bonds3

About (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate

(2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate (PubChem CID 170258692) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate.

Molecular Properties

Compound Name(2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate
PubChem CID170258692
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate
SMILESC=C1CCC(=O)N1OC(=O)NC(C)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H20N2O3/c1-14-11-12-20(25)24(14)27-22(26)23-15(2)21-18-9-5-3-7-16(18)13-17-8-4-6-10-19(17)21/h3-10,13,15H,1,11-12H2,2H3,(H,23,26)
InChIKeyHIENKJUOGUAYGN-UHFFFAOYSA-N
XLogP4.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate?
The IUPAC name of (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate (CID 170258692) is (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate.
What is the SMILES notation for (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate?
The canonical SMILES for (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate is C=C1CCC(=O)N1OC(=O)NC(C)c1c2ccccc2cc2ccccc12.
What is the InChIKey of (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate?
The InChIKey is HIENKJUOGUAYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-11-12-20(25)24(14)27-22(26)23-15(2)21-18-9-5-3-7-16(18)13-17-8-4-6-10-19(17)21/h3-10,13,15H,1,11-12H2,2H3,(H,23,26).
What are the key properties of (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate?
(2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate has a molecular weight of 360.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-5-oxopyrrolidin-1-yl) N-(1-anthracen-9-ylethyl)carbamate is sourced from PubChem (CID 170258692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).